2-[(1E)-cyclopentylidene]acetamide

• ChemBase ID: 235509
• Molecular Formular: C7H11NO
• Molecular Mass: 125.16834
• Monoisotopic Mass: 125.08406398
• SMILES: C(=C1CCCC1)C(=O)N
• Canonical SMILES: NC(=O)C=C1CCCC1
• InChI: InChI=1S/C7H11NO/c8-7(9)5-6-3-1-2-4-6/h5H,1-4H2,(H2,8,9)
• InChIKey: WHHZGEHQZABNDM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[(1E)-cyclopentylidene]acetamide
• IUPAC Traditional name: 2-[(1E)-cyclopentylidene]acetamide
• Synonyms: 2-cyclopentylideneacetamide

Database IDs

• MDL Number: MFCD19160579
• PubChem SID: 164291419
• PubChem CID: 11446321

CALCULATED PROPERTIES

• Acid pKa: 16.746027
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.7813093
• LogD (pH = 7.4): 0.78141105
• Log P: 0.78141236
• Molar Refractivity: 36.4689 cm^3
• Polarizability: 13.860147 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 141 - 143°C
• Hydrophobicity(logP): 0.953

Product Information

• Purity: 95%