N-(cyclopropylmethyl)acetamide

• ChemBase ID: 87052
• Molecular Formular: C6H11NO
• Molecular Mass: 113.15764
• Monoisotopic Mass: 113.08406398
• SMILES: N(C(=O)C)CC1CC1
• Canonical SMILES: CC(=O)NCC1CC1
• InChI: InChI=1S/C6H11NO/c1-5(8)7-4-6-2-3-6/h6H,2-4H2,1H3,(H,7,8)
• InChIKey: GDQTVPUAZAECHX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-(cyclopropylmethyl)acetamide
• IUPAC Traditional name: N-(cyclopropylmethyl)acetamide
• Synonyms: N-(cyclopropylmethyl)acetamide

Database IDs

• MDL Number: MFCD02090597
• PubChem SID: 162074168
• PubChem CID: 2801525

CALCULATED PROPERTIES

• Acid pKa: 16.236374
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.026035618
• LogD (pH = 7.4): -0.026034998
• Log P: -0.026034988
• Molar Refractivity: 31.3046 cm^3
• Polarizability: 12.265093 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true