3,5-dimethylimidazolidine-2,4-dione

• ChemBase ID: 310033
• Molecular Formular: C5H8N2O2
• Molecular Mass: 128.12922
• Monoisotopic Mass: 128.05857751
• SMILES: N1(C(=O)NC(C1=O)C)C
• Canonical SMILES: CC1NC(=O)N(C1=O)C
• InChI: InChI=1S/C5H8N2O2/c1-3-4(8)7(2)5(9)6-3/h3H,1-2H3,(H,6,9)
• InChIKey: WCJZFXWWQURWGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,5-dimethylimidazolidine-2,4-dione
• IUPAC Traditional name: 3,5-dimethylimidazolidine-2,4-dione
• Synonyms: 3,5-dimethyl-2,4-imidazolidinedione

Database IDs

• CAS Number: 6851-79-2
• MDL Number: MFCD19159807

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.65778035
• LogD (pH = 7.4): -0.6577939
• Log P: -0.6577802
• Molar Refractivity: 30.4367 cm^3
• Polarizability: 11.731229 Å^3
• Polar Surface Area: 49.41 Å^2