1.0 2011-09-21 00:26:21 UTC 2015-10-09 22:32:57 UTC FDB023209 N-Methylhydantoin N-Methylhydantoin is a small molecular weight polar substance, the product of degradation of creatinine by bacteria (hydrolyzed by creatinine iminohydrolase, EC 3.5.4.21 to ammonia and N-methylhydantoin). In mammals, the metabolism of 1-methylhydantoin occurs via 5-hydroxy-1-methylhydantoin. In a reported human case, 1-Methylhydantoin was found as an unexpected metabolite of the intelligence-affecting substance dupracetam. (PMID: 15533691, 8287520, 3196760, 7294979) [HMDB] 1-Methyl-2,4-imidazolidinedione 1-methyl-Hydantoin 1-Methyldiazolidine-2,4-dione 1-Methylhydantoin 1-methylimidazolidine-2,4-dione Dioxy-creatinine N-methylimidazolidine-2,4-dione 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. Imidazolines Organic compounds Organoheterocyclic compounds Azolines Imidazolines Aliphatic heteromonocyclic compounds 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 a small molecule imidazolidine-2,4-dione Solid logp -1.20 ALOGPS logs 0.37 ALOGPS solubility 2.65e+02 g/l 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 Specdb::NmrTwoD 1916 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::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 HMDB03646 16354 #<Reference:0x000055ce332b49e8> #<Reference:0x000055ce332b4830> #<Reference:0x000055ce332b4678> #<Reference:0x000055ce332b44c0> Anatidae Type 1 specific Anatidae 8830 Beefalo Type 1 specific Bos taurus X Bison bison 297284 Bison Type 1 specific Bison bison 9901 Buffalo Type 1 specific Bubalus bubalis 89462 Cattle (Beef, Veal) Type 1 specific Bos taurus 9913 Chicken Type 1 specific Gallus gallus 9031 Columbidae (Dove, Pigeon) Type 1 specific Columbidae 8930 Deer Type 1 specific Cervidae 9850 Domestic goat Type 1 specific Capra aegagrus hircus 9925 Domestic pig Type 1 specific Sus scrofa domestica 9825 Elk Type 1 specific Cervus canadensis 1574408 Emu Type 1 specific Dromaius novaehollandiae 8790 European rabbit Type 1 specific Oryctolagus 9984 Greylag goose Type 1 specific Anser anser 8843 Guinea hen Type 1 specific Numida meleagris 8996 Horse Type 1 specific Equus caballus 9796 Mallard duck Type 1 specific Anas platyrhynchos 8839 Mountain hare Type 1 specific Lepus timidus 62621 Mule deer Type 1 specific Odocoileus 9871 Ostrich Type 1 specific Struthio camelus 8801 Pheasant Type 1 specific Phasianus colchicus 9054 Quail Type 1 specific Phasianidae 9005 Rabbit Type 1 specific Leporidae 9979 Rock ptarmigan Type 1 specific Lagopus muta 64668 Sheep (Mutton, Lamb) Type 1 specific Ovis aries 9940 Squab Type 1 specific Columba 8931 Turkey Type 1 specific Meleagris gallopavo 9103 Velvet duck Type 1 specific Melanitta fusca 371864 Wild boar Type 1 specific Sus scrofa 9823