3-cyclopropylimidazolidine-2,4-dione

• ChemBase ID: 274616
• Molecular Formular: C6H8N2O2
• Molecular Mass: 140.13992
• Monoisotopic Mass: 140.05857751
• SMILES: N1(C(=O)NCC1=O)C1CC1
• Canonical SMILES: O=C1NCC(=O)N1C1CC1
• InChI: InChI=1S/C6H8N2O2/c9-5-3-7-6(10)8(5)4-1-2-4/h4H,1-3H2,(H,7,10)
• InChIKey: CKMZRUJBGDIMRP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-cyclopropylimidazolidine-2,4-dione
• IUPAC Traditional name: 3-cyclopropylimidazolidine-2,4-dione
• Synonyms: 3-cyclopropylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD16665293
• PubChem SID: 164330526
• PubChem CID: 13822584

CALCULATED PROPERTIES

• Acid pKa: 12.128468
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.76097995
• LogD (pH = 7.4): -0.7609879
• Log P: -0.7609799
• Molar Refractivity: 33.154 cm^3
• Polarizability: 12.846111 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 144 - 146°C
• Hydrophobicity(logP): -0.571

Product Information

• Purity: 95%