1.0 2016-09-30 23:05:42 UTC 2020-05-05 18:40:28 UTC BMDB0003646 BMDB03646 N-Methylhydantoin 1-Methylhydantoin Dioxy-creatinine N-Methylimidazolidine-2,4-dione 1-Methyl-2,4-imidazolidinedione 1-Methyl-hydantoin 1-Methyldiazolidine-2,4-dione 1-Methylimidazolidine-2,4-dione N-Methylhydantoin C4H6N2O2 114.1026 114.042927446 1-methylimidazolidine-2,4-dione 1-methylhydantoin 616-04-6 CN1CC(=O)NC1=O InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8) RHYBFKMFHLPQPH-UHFFFAOYSA-N belongs to the class of organic compounds known as imidazolines. These are organic compounds containing an imidazoline ring, which is an unsaturated ring (derived from imidazole) with two nitrogen atoms at positions 1 and 3 respectively, and containing only one CN double bond. Organic compounds Organoheterocyclic compounds Azolines Imidazolines Imidazolines Azacyclic compounds Carbonyl compounds Hydrocarbon derivatives Organic carbonic acids and derivatives Organic oxides Organonitrogen compounds Organopnictogen compounds Propargyl-type 1,3-dipolar organic compounds 3-imidazoline Aliphatic heteromonocyclic compound Azacycle Carbonic acid derivative Carbonyl group Hydrocarbon derivative Organic 1,3-dipolar compound Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Propargyl-type 1,3-dipolar organic compound Aliphatic heteromonocyclic compounds a small molecule imidazolidine-2,4-dione Solid logp -1.148 logp -1.20 ALOGPS logs 0.37 ALOGPS logp -1.2 ChemAxon pka_strongest_acidic 8.94 ChemAxon pka_strongest_basic -8.5 ChemAxon iupac 1-methylimidazolidine-2,4-dione ChemAxon average_mass 114.1026 ChemAxon mono_mass 114.042927446 ChemAxon smiles CN1CC(=O)NC1=O ChemAxon formula C4H6N2O2 ChemAxon inchi InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8) ChemAxon inchikey RHYBFKMFHLPQPH-UHFFFAOYSA-N ChemAxon polar_surface_area 49.41 ChemAxon refractivity 25.94 ChemAxon polarizability 10.25 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon number_of_rings 1 ChemAxon bioavailability 1 ChemAxon rule_of_five Yes ChemAxon ghose_filter Yes ChemAxon veber_rule Yes ChemAxon mddr_like_rule Yes ChemAxon Specdb::MsIr 2031 Specdb::MsIr 2032 Specdb::MsIr 2033 Specdb::CMs 1040 Specdb::CMs 1062 Specdb::CMs 23153 Specdb::CMs 29687 Specdb::CMs 31472 Specdb::CMs 31473 Specdb::CMs 31871 Specdb::CMs 31872 Specdb::CMs 157297 Specdb::NmrTwoD 1916 Specdb::MsMs 6405 Specdb::MsMs 6406 Specdb::MsMs 6407 Specdb::MsMs 6408 Specdb::MsMs 6409 Specdb::MsMs 10910 Specdb::MsMs 10911 Specdb::MsMs 10912 Specdb::MsMs 17582 Specdb::MsMs 17583 Specdb::MsMs 17584 Specdb::MsMs 438080 Specdb::MsMs 438081 Specdb::MsMs 438082 Specdb::MsMs 438083 Specdb::MsMs 438084 Specdb::MsMs 2240451 Specdb::MsMs 2241241 Specdb::MsMs 2243360 Specdb::MsMs 2664457 Specdb::MsMs 2664458 Specdb::MsMs 2664459 Specdb::MsMs 3017820 Specdb::MsMs 3017821 Specdb::MsMs 3017822 Specdb::NmrOneD 1981 Specdb::NmrOneD 28502 Specdb::NmrOneD 28503 Specdb::NmrOneD 28504 Specdb::NmrOneD 28505 Specdb::NmrOneD 28506 Specdb::NmrOneD 28507 Specdb::NmrOneD 28508 Specdb::NmrOneD 28509 Specdb::NmrOneD 28510 Specdb::NmrOneD 28511 Specdb::NmrOneD 28512 Specdb::NmrOneD 28513 Specdb::NmrOneD 28514 Specdb::NmrOneD 28515 Specdb::NmrOneD 28516 Specdb::NmrOneD 28517 Specdb::NmrOneD 28518 Specdb::NmrOneD 28519 Specdb::NmrOneD 28520 Specdb::NmrOneD 28521 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under corn stover based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Liver 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Mammary Gland 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under corn stover based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 Mammary Gland 8 multiparous Chinese Holstein dairy cows fed in the Hangzhou Hangjiang Dairy Farm based on the milk production under alfalfa hay based diets. Detection used gas chromatography time-of-flight/mass spectrometry (GC-TOF/MS) platform. Sun HZ, Zhou M, Wang O, Chen Y, Liu JX, Guan LL: Multi-omics reveals functional genomic and metabolic mechanisms of milk production and quality in dairy cows. Bioinformatics. 2020 Apr 15;36(8):2530-2537. doi: 10.1093/bioinformatics/btz951. 31873721 FDB023209 69217 C02565 62430 16354 N-METHYLHYDANTOIN