3-methyl-9H-indeno[2,1-c]pyridin-9-one

• ChemBase ID: 181351
• Molecular Formular: C13H9NO
• Molecular Mass: 195.21666
• Monoisotopic Mass: 195.06841391
• SMILES: c12c(c3c(C1=O)cccc3)cc(nc2)C
• Canonical SMILES: Cc1ncc2c(c1)c1ccccc1C2=O
• InChI: InChI=1S/C13H9NO/c1-8-6-11-9-4-2-3-5-10(9)13(15)12(11)7-14-8/h2-7H,1H3
• InChIKey: DCPKQEPZPOQXRA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-9H-indeno[2,1-c]pyridin-9-one
• IUPAC Traditional name: 3-methylindeno[2,1-c]pyridin-9-one

Database IDs

• PubChem SID: 164237261
• PubChem CID: 534184

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 1.9832987
• LogD (pH = 7.4): 2.019789
• Log P: 2.020276
• Molar Refractivity: 58.1463 cm^3
• Polarizability: 23.536982 Å^3
• Polar Surface Area: 29.96 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds