2-cyclopentanecarbonylpyridine

• ChemBase ID: 284454
• Molecular Formular: C11H13NO
• Molecular Mass: 175.22702
• Monoisotopic Mass: 175.09971404
• SMILES: C(=O)(c1ncccc1)C1CCCC1
• Canonical SMILES: O=C(c1ccccn1)C1CCCC1
• InChI: InChI=1S/C11H13NO/c13-11(9-5-1-2-6-9)10-7-3-4-8-12-10/h3-4,7-9H,1-2,5-6H2
• InChIKey: STBHDACSUPGHPA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD07699202
• PubChem SID: 180669985
• PubChem CID: 22321576

CALCULATED PROPERTIES

• Acid pKa: 17.014753
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.367386
• LogD (pH = 7.4): 2.367997
• Log P: 2.3680048
• Molar Refractivity: 50.5331 cm^3
• Polarizability: 19.807465 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.352

Product Information

• Purity: 95%