1-methylcyclopropane-1-carboxamide

• ChemBase ID: 289962
• Molecular Formular: C5H9NO
• Molecular Mass: 99.13106
• Monoisotopic Mass: 99.06841391
• SMILES: O=C(C1(C)CC1)N
• Canonical SMILES: NC(=O)C1(C)CC1
• InChI: InChI=1S/C5H9NO/c1-5(2-3-5)4(6)7/h2-3H2,1H3,(H2,6,7)
• InChIKey: HLCXNVMIINTAOG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-methylcyclopropane-1-carboxamide
• IUPAC Traditional name: 1-methylcyclopropane-1-carboxamide
• Synonyms: 1-Methylcyclopropanecarboxamide

Database IDs

• CAS Number: 15910-91-5
• PubChem SID: 180675493
• PubChem CID: 13002936

CALCULATED PROPERTIES

• Acid pKa: 16.55115
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.30552217
• LogD (pH = 7.4): 0.3055222
• Log P: 0.3055222
• Molar Refractivity: 26.3661 cm^3
• Polarizability: 10.429774 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 95+%