N-propylcyclopropanecarboxamide

• ChemBase ID: 293781
• Molecular Formular: C7H13NO
• Molecular Mass: 127.18422
• Monoisotopic Mass: 127.09971404
• SMILES: CCCNC(=O)C1CC1
• Canonical SMILES: CCCNC(=O)C1CC1
• InChI: InChI=1S/C7H13NO/c1-2-5-8-7(9)6-3-4-6/h6H,2-5H2,1H3,(H,8,9)
• InChIKey: ATADNMCXCXUSOW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-propylcyclopropanecarboxamide
• IUPAC Traditional name: N-propylcyclopropanecarboxamide
• Synonyms: N-Propylcyclopropanecarboxamide

Database IDs

• CAS Number: 26389-59-3
• MDL Number: MFCD00088485
• PubChem SID: 180679312
• PubChem CID: 528618

CALCULATED PROPERTIES

• Log P: 0.8525143
• Molar Refractivity: 36.0344 cm^3
• Polarizability: 14.103091 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true
• Acid pKa: 16.213974
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.85251427
• LogD (pH = 7.4): 0.8525143

PROPERTIES

Product Information

• Purity: 95+%