1-methylimidazolidine-2,4,5-trione

• ChemBase ID: 310000
• Molecular Formular: C4H4N2O3
• Molecular Mass: 128.08616
• Monoisotopic Mass: 128.022192
• SMILES: N1(C(=O)NC(=O)C1=O)C
• Canonical SMILES: O=C1NC(=O)N(C1=O)C
• InChI: InChI=1S/C4H4N2O3/c1-6-3(8)2(7)5-4(6)9/h1H3,(H,5,7,9)
• InChIKey: MJJCZWPYKMGQHU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylimidazolidine-2,4,5-trione
• IUPAC Traditional name: 1-methylimidazolidine-2,4,5-trione
• Synonyms: 1-methyl-2,4,5-imidazolidinetrione

Database IDs

• CAS Number: 3659-97-0
• MDL Number: MFCD00457047

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.98610437
• LogD (pH = 7.4): -1.3042667
• Log P: -0.98000133
• Molar Refractivity: 26.3223 cm^3
• Polarizability: 10.119884 Å^3
• Polar Surface Area: 66.48 Å^2