N-methylcyclopentanecarboxamide

• ChemBase ID: 60207
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: C(=O)(C1CCCC1)NC
• Canonical SMILES: CNC(=O)C1CCCC1
• InChI: InChI=1S/C7H13NO/c1-8-7(9)6-4-2-3-5-6/h6H,2-5H2,1H3,(H,8,9)
• InChIKey: CFFSQQUADJWJBU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylcyclopentanecarboxamide
• IUPAC Traditional name: N-methylcyclopentanecarboxamide
• Synonyms: N-Methylcyclopentanecarboxamide

Database IDs

• MDL Number: MFCD10665903
• PubChem SID: 162025948
• PubChem CID: 12247355

CALCULATED PROPERTIES

• Acid pKa: 16.335268
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.8623206
• LogD (pH = 7.4): 0.86232126
• Log P: 0.8623213
• Molar Refractivity: 35.9638 cm^3
• Polarizability: 14.103091 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false