1-Methylhydantoin
PubChem CID: 69217
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| Compound Synonyms | 1-Methylhydantoin, 616-04-6, 1-methylimidazolidine-2,4-dione, N-Methylhydantoin, Dioxy-creatinine, Hydantoin, 1-methyl-, 1-methyl-hydantoin, 2,4-Imidazolidinedione, 1-methyl-, 1-Methyldiazolidine-2,4-dione, N-Methylimidazolidine-2,4-dione, methylhydantoin, UNII-0546H9UR1R, 1-Methyl-2,4-imidazolidinedione, 0546H9UR1R, EINECS 210-460-6, MFCD00003187, NSC 80560, NSC-80560, CHEMBL4758352, CHEBI:16354, RHYBFKMFHLPQPH-UHFFFAOYSA-, DTXSID90210595, methylhydantoine, 1-methyl hydantoin, Hydantoin, 1-methyl- (6CI,7CI,8CI), 1-Methyl-2,4-imidazolidinedione, 1-Methylimidazolidine-2,4-dione, Dioxy-creatinine, NSC 80560, 1-Methylhydantoin, 97%, SCHEMBL21769, Hydantoin, 1-methyl-(8CI), 1-methylimidazolidin-2,4-dione, DTXCID20133086, NSC80560, STR08386, 1-Methyl-2,4-imidazolidinedione #, BDBM50549806, STK801997, imidazolidine-2,4-dione, 1-methyl-, AKOS000119438, AT20200, PS-4018, 1-Methyl-2 pound not4-imidazolidinedione, AC-34375, FM167429, SY057100, 2,4-Imidazolidinedione, 1-methyl-(9CI), DB-053947, HY-113382, CS-0062340, M1027, NS00014646, S6184, EN300-19234, C02565, Q27101864, Z104473250, 63EB0A26-EFB8-4972-8359-66A71ED3C67D |
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| Topological Polar Surface Area | 49.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 8.0 |
| Description | 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] |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 143.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methylimidazolidine-2,4-dione |
| Prediction Hob | 1.0 |
| Class | Azolidines |
| Target Id | NPT2608 |
| Xlogp | -0.9 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Imidazolidines |
| Molecular Formula | C4H6N2O2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | RHYBFKMFHLPQPH-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Logs | -0.81 |
| Rotatable Bond Count | 0.0 |
| State | Solid |
| Logd | 0.441 |
| Synonyms | 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 |
| Substituent Name | Hydantoin, Ureide, Urea, Tertiary amine, Carboxamide group, Azacycle, Carboxylic acid derivative, Hydrocarbon derivative, Organooxygen compound, Organonitrogen compound, Carbonyl group, Amine, Aliphatic heteromonocyclic compound |
| Compound Name | 1-Methylhydantoin |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 114.043 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 114.043 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 114.1 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.2072447999999999 |
| Inchi | InChI=1S/C4H6N2O2/c1-6-2-3(7)5-4(6)8/h2H2,1H3,(H,5,7,8) |
| Smiles | CN1CC(=O)NC1=O |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients