N-benzylcyclopropanecarboxamide

• ChemBase ID: 138770
• Molecular Formular: C11H13NO
• Molecular Mass: 175.22702
• Monoisotopic Mass: 175.09971404
• SMILES: c1ccc(cc1)CNC(=O)C1CC1
• Canonical SMILES: O=C(C1CC1)NCc1ccccc1
• InChI: InChI=1S/C11H13NO/c13-11(10-6-7-10)12-8-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H,12,13)
• InChIKey: WPETWIRCSJXPAN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzylcyclopropanecarboxamide
• IUPAC Traditional name: N-benzylcyclopropanecarboxamide
• Synonyms: N-Benzylcyclopropanecarboxamide; N-苄基环丙甲酰胺

Database IDs

• CAS Number: 35665-25-9
• MDL Number: MFCD00001279
• PubChem SID: 162233021
• PubChem CID: 568836

CALCULATED PROPERTIES

• Acid pKa: 15.776602
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 1.697657
• LogD (pH = 7.4): 1.6976571
• Log P: 1.6976571
• Molar Refractivity: 51.3744 cm^3
• Polarizability: 20.014374 Å^3
• Polar Surface Area: 29.1 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 99%
• Empirical Formula (Hill Notation): C11H13NO