N-methylcyclopropanecarboxamide

• ChemBase ID: 238653
• Molecular Formular: C5H9NO
• Molecular Mass: 99.13106
• Monoisotopic Mass: 99.06841391
• SMILES: C1(C(=O)NC)CC1
• Canonical SMILES: CNC(=O)C1CC1
• InChI: InChI=1S/C5H9NO/c1-6-5(7)4-2-3-4/h4H,2-3H2,1H3,(H,6,7)
• InChIKey: BVNIREPGHLFKNZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-methylcyclopropanecarboxamide
• IUPAC Traditional name: N-methylcyclopropanecarboxamide
• Synonyms: N-methylcyclopropanecarboxamide

Database IDs

• MDL Number: MFCD00226845
• PubChem SID: 164294563
• PubChem CID: 528616

CALCULATED PROPERTIES

• Acid pKa: 16.155548
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.026816214
• LogD (pH = 7.4): -0.026816042
• Log P: -0.02681604
• Molar Refractivity: 26.7618 cm^3
• Polarizability: 10.429774 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -0.494

Product Information

• Purity: 95%