5-cyclopropyl-5-methylimidazolidine-2,4-dione

• ChemBase ID: 251157
• Molecular Formular: C7H10N2O2
• Molecular Mass: 154.1665
• Monoisotopic Mass: 154.07422757
• SMILES: N1C(=O)C(NC1=O)(C1CC1)C
• Canonical SMILES: O=C1NC(=O)NC1(C)C1CC1
• InChI: InChI=1S/C7H10N2O2/c1-7(4-2-3-4)5(10)8-6(11)9-7/h4H,2-3H2,1H3,(H2,8,9,10,11)
• InChIKey: NSJNDFMJXLKSSR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-cyclopropyl-5-methylimidazolidine-2,4-dione
• IUPAC Traditional name: 5-cyclopropyl-5-methylimidazolidine-2,4-dione
• Synonyms: 5-cyclopropyl-5-methylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD00037483
• PubChem SID: 164307067
• PubChem CID: 231389

CALCULATED PROPERTIES

• Acid pKa: 10.183397
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.02492992
• LogD (pH = 7.4): -0.025627412
• Log P: -0.02492102
• Molar Refractivity: 37.4467 cm^3
• Polarizability: 14.663719 Å^3
• Polar Surface Area: 58.2 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 168 - 170°C
• Hydrophobicity(logP): -0.299

Product Information

• Purity: 95%