1-cyclopentylimidazolidine-2,4-dione

• ChemBase ID: 274349
• Molecular Formular: C8H12N2O2
• Molecular Mass: 168.19308
• Monoisotopic Mass: 168.08987763
• SMILES: C1(=O)NC(=O)CN1C1CCCC1
• Canonical SMILES: O=C1NC(=O)CN1C1CCCC1
• InChI: InChI=1S/C8H12N2O2/c11-7-5-10(8(12)9-7)6-3-1-2-4-6/h6H,1-5H2,(H,9,11,12)
• InChIKey: AGMIKCKKGCFDPH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-cyclopentylimidazolidine-2,4-dione
• IUPAC Traditional name: 1-cyclopentylimidazolidine-2,4-dione
• Synonyms: 1-cyclopentylimidazolidine-2,4-dione

Database IDs

• MDL Number: MFCD12159759
• PubChem SID: 164330259
• PubChem CID: 10197878

CALCULATED PROPERTIES

• Acid pKa: 9.927418
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 0.12814142
• LogD (pH = 7.4): 0.12688474
• Log P: 0.12815747
• Molar Refractivity: 42.356 cm^3
• Polarizability: 16.48656 Å^3
• Polar Surface Area: 49.41 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 148 - 150°C
• Hydrophobicity(logP): 0.377

Product Information

• Purity: 95%