2-cyclopentylacetamide

• ChemBase ID: 254879
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: C(=O)(CC1CCCC1)N
• Canonical SMILES: NC(=O)CC1CCCC1
• InChI: InChI=1S/C7H13NO/c8-7(9)5-6-3-1-2-4-6/h6H,1-5H2,(H2,8,9)
• InChIKey: OXRCIXHTUHZNRY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopentylacetamide
• IUPAC Traditional name: 2-cyclopentylacetamide
• Synonyms: 2-cyclopentylacetamide

Database IDs

• CAS Number: 933-04-0
• MDL Number: MFCD09863414
• PubChem SID: 164310789
• PubChem CID: 18425633

CALCULATED PROPERTIES

• Acid pKa: 16.833038
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.82724565
• LogD (pH = 7.4): 0.82724667
• Log P: 0.8272467
• Molar Refractivity: 35.6422 cm^3
• Polarizability: 14.103091 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 149 - 151°C
• Hydrophobicity(logP): 0.977

Product Information

• Purity: 95%