2-cyclohexanecarbonylpyridine

• ChemBase ID: 120392
• Molecular Formular: C12H15NO
• Molecular Mass: 189.2536
• Monoisotopic Mass: 189.11536411
• SMILES: C(=O)(c1ncccc1)C1CCCCC1
• Canonical SMILES: O=C(c1ccccn1)C1CCCCC1
• InChI: InChI=1S/C12H15NO/c14-12(10-6-2-1-3-7-10)11-8-4-5-9-13-11/h4-5,8-10H,1-3,6-7H2
• InChIKey: REJDKOCOTFKBQC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-cyclohexanecarbonylpyridine
• IUPAC Traditional name: 2-cyclohexanecarbonylpyridine
• Synonyms: cyclohexyl(pyridin-2-yl)methanone

Database IDs

• PubChem SID: 162214745
• PubChem CID: 919497

CALCULATED PROPERTIES

• Acid pKa: 17.01532
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8119547
• LogD (pH = 7.4): 2.8125656
• Log P: 2.8125734
• Molar Refractivity: 55.1341 cm^3
• Polarizability: 21.65111 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true