cyclopentanecarboxamide

• ChemBase ID: 258009
• Molecular Formular: C6H11NO
• Molecular Mass: 113.15764
• Monoisotopic Mass: 113.08406398
• SMILES: C(=O)(C1CCCC1)N
• Canonical SMILES: NC(=O)C1CCCC1
• InChI: InChI=1S/C6H11NO/c7-6(8)5-3-1-2-4-5/h5H,1-4H2,(H2,7,8)
• InChIKey: XRLDSWLMHUQECH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: cyclopentanecarboxamide
• IUPAC Traditional name: cyclopentanecarboxamide
• Synonyms: cyclopentanecarboxamide

Database IDs

• CAS Number: 3217-94-5
• MDL Number: MFCD11505594
• PubChem SID: 164313919
• PubChem CID: 226274

CALCULATED PROPERTIES

• Acid pKa: 16.70463
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.63864475
• LogD (pH = 7.4): 0.63864523
• Log P: 0.63864523
• Molar Refractivity: 31.0671 cm^3
• Polarizability: 12.265093 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 173 - 175°C
• Hydrophobicity(logP): 0.358

Product Information

• Purity: 95%