3,7-dimethyl-9H-indeno[2,1-c]pyridin-9-one

• ChemBase ID: 183959
• Molecular Formular: C14H11NO
• Molecular Mass: 209.24324
• Monoisotopic Mass: 209.08406398
• SMILES: c12c(c3c(C1=O)cc(cc3)C)cc(nc2)C
• Canonical SMILES: Cc1ccc2c(c1)C(=O)c1c2cc(nc1)C
• InChI: InChI=1S/C14H11NO/c1-8-3-4-10-11-6-9(2)15-7-13(11)14(16)12(10)5-8/h3-7H,1-2H3
• InChIKey: UQHJHBSEYIOLIB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3,7-dimethyl-9H-indeno[2,1-c]pyridin-9-one
• IUPAC Traditional name: 3,7-dimethylindeno[2,1-c]pyridin-9-one

Database IDs

• PubChem SID: 164239869
• PubChem CID: 610681

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.4909396
• LogD (pH = 7.4): 2.5331302
• Log P: 2.5336976
• Molar Refractivity: 63.1875 cm^3
• Polarizability: 25.301128 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