(5Z)-7-methyl-5-(phenylmethylidene)-5H-indeno[1,2-b]pyridine

• ChemBase ID: 183578
• Molecular Formular: C20H15N
• Molecular Mass: 269.3398
• Monoisotopic Mass: 269.12044949
• SMILES: C\1(=C\c2ccccc2)/c2c(c3c1cccn3)ccc(c2)C
• Canonical SMILES: Cc1ccc2c(c1)/C(=C/c1ccccc1)/c1c2nccc1
• InChI: InChI=1S/C20H15N/c1-14-9-10-17-18(12-14)19(13-15-6-3-2-4-7-15)16-8-5-11-21-20(16)17/h2-13H,1H3/b19-13+
• InChIKey: KPRDJPMEFCHAKS-CPNJWEJPSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5Z)-7-methyl-5-(phenylmethylidene)-5H-indeno[1,2-b]pyridine
• IUPAC Traditional name: (5Z)-7-methyl-5-(phenylmethylidene)indeno[1,2-b]pyridine

Database IDs

• PubChem SID: 164239488
• PubChem CID: 1202730

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 5.0933523
• LogD (pH = 7.4): 5.101756
• Log P: 5.1018643
• Molar Refractivity: 96.656 cm^3
• Polarizability: 34.816067 Å^3
• Polar Surface Area: 12.89 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds