2-phenyl-5H-indeno[1,2-b]pyridin-5-one

• ChemBase ID: 196419
• Molecular Formular: C18H11NO
• Molecular Mass: 257.28604
• Monoisotopic Mass: 257.08406398
• SMILES: c12c(C(=O)c3c2cccc3)ccc(n1)c1ccccc1
• Canonical SMILES: O=C1c2ccc(nc2c2c1cccc2)c1ccccc1
• InChI: InChI=1S/C18H11NO/c20-18-14-9-5-4-8-13(14)17-15(18)10-11-16(19-17)12-6-2-1-3-7-12/h1-11H
• InChIKey: JZPIBOXXNYUTAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-phenyl-5H-indeno[1,2-b]pyridin-5-one
• IUPAC Traditional name: 2-phenylindeno[1,2-b]pyridin-5-one

Database IDs

• PubChem SID: 164252329
• PubChem CID: 620888

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.307609
• LogD (pH = 7.4): 4.3078294
• Log P: 4.307832
• Molar Refractivity: 77.947 cm^3
• Polarizability: 32.87988 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds