2-cyclopropylacetamide

• ChemBase ID: 234964
• Molecular Formular: C5H9NO
• Molecular Mass: 99.13106
• Monoisotopic Mass: 99.06841391
• SMILES: C1(CC1)CC(=O)N
• Canonical SMILES: NC(=O)CC1CC1
• InChI: InChI=1S/C5H9NO/c6-5(7)3-4-1-2-4/h4H,1-3H2,(H2,6,7)
• InChIKey: JBSLANHIBKBQGE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclopropylacetamide
• IUPAC Traditional name: 2-cyclopropylacetamide
• Synonyms: 2-cyclopropylacetamide

Database IDs

• MDL Number: MFCD11644102
• PubChem SID: 164290874
• PubChem CID: 11715166

CALCULATED PROPERTIES

• Acid pKa: 16.653328
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -0.061890893
• LogD (pH = 7.4): -0.061890624
• Log P: -0.06189062
• Molar Refractivity: 26.4402 cm^3
• Polarizability: 10.429774 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 125 - 127°C
• Hydrophobicity(logP): -0.141

Product Information

• Purity: 95%