1H,2H,5H,6H,7H-cyclopenta[b]pyridin-2-one

• ChemBase ID: 308962
• Molecular Formular: C8H9NO
• Molecular Mass: 135.16316
• Monoisotopic Mass: 135.06841391
• SMILES: [nH]1c2c(ccc1=O)CCC2
• Canonical SMILES: O=c1ccc2c([nH]1)CCC2
• InChI: InChI=1S/C8H9NO/c10-8-5-4-6-2-1-3-7(6)9-8/h4-5H,1-3H2,(H,9,10)
• InChIKey: GXXRRIYKTZNCNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1H,2H,5H,6H,7H-cyclopenta[b]pyridin-2-one
• IUPAC Traditional name: 1H,5H,6H,7H-cyclopenta[b]pyridin-2-one
• Synonyms: 1,5,6,7-tetrahydro-2H-cyclopenta[b]pyridin-2-one

Database IDs

• CAS Number: 88499-85-8
• MDL Number: MFCD09040473

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): 0.5210922
• LogD (pH = 7.4): 0.5210757
• Log P: 0.52109236
• Molar Refractivity: 40.8682 cm^3
• Polarizability: 14.731592 Å^3
• Polar Surface Area: 29.1 Å^2