2-methylcyclopropane-1-carboxamide

• ChemBase ID: 262546
• Molecular Formular: C5H9NO
• Molecular Mass: 99.13106
• Monoisotopic Mass: 99.06841391
• SMILES: C1(CC1C)C(=O)N
• Canonical SMILES: CC1CC1C(=O)N
• InChI: InChI=1S/C5H9NO/c1-3-2-4(3)5(6)7/h3-4H,2H2,1H3,(H2,6,7)
• InChIKey: FGJUPRFXIMWVNF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methylcyclopropane-1-carboxamide
• IUPAC Traditional name: 2-methylcyclopropane-1-carboxamide
• Synonyms: 2-methylcyclopropane-1-carboxamide

Database IDs

• MDL Number: MFCD11643206
• PubChem SID: 164318456
• PubChem CID: 301542

CALCULATED PROPERTIES

• Acid pKa: 16.597786
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.03652682
• LogD (pH = 7.4): 0.03652699
• Log P: 0.03652699
• Molar Refractivity: 26.4137 cm^3
• Polarizability: 10.429774 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 93 - 95°C
• Hydrophobicity(logP): -0.011

Product Information

• Purity: 95%