2-octylcyclopropane-1-carboxamide

• ChemBase ID: 181315
• Molecular Formular: C12H23NO
• Molecular Mass: 197.31712
• Monoisotopic Mass: 197.17796436
• SMILES: C1(CC1CCCCCCCC)C(=O)N
• Canonical SMILES: CCCCCCCCC1CC1C(=O)N
• InChI: InChI=1S/C12H23NO/c1-2-3-4-5-6-7-8-10-9-11(10)12(13)14/h10-11H,2-9H2,1H3,(H2,13,14)
• InChIKey: IEHQZROEAPZISA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-octylcyclopropane-1-carboxamide
• IUPAC Traditional name: 2-octylcyclopropane-1-carboxamide

Database IDs

• PubChem SID: 164237225
• PubChem CID: 3602273

CALCULATED PROPERTIES

• Acid pKa: 16.678164
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 3.1485074
• LogD (pH = 7.4): 3.1485076
• Log P: 3.1485076
• Molar Refractivity: 58.6207 cm^3
• Polarizability: 23.312815 Å^3
• Polar Surface Area: 43.09 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Description: Isomers
• Classification: Rare Derivatives of Natural Compounds