(5Z)-5H-indeno[1,2-b]pyridin-5-ylidenemethanamine

• ChemBase ID: 184545
• Molecular Formular: C13H10N2
• Molecular Mass: 194.2319
• Monoisotopic Mass: 194.08439833
• SMILES: C\1(=C/N)/c2c(c3c1cccc3)nccc2
• Canonical SMILES: N/C=C\1/c2ccccc2c2c1cccn2
• InChI: InChI=1S/C13H10N2/c14-8-12-9-4-1-2-5-10(9)13-11(12)6-3-7-15-13/h1-8H,14H2/b12-8-
• InChIKey: CZSMUSAFIHUGGX-WQLSENKSSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (5Z)-5H-indeno[1,2-b]pyridin-5-ylidenemethanamine
• IUPAC Traditional name: (5Z)-indeno[1,2-b]pyridin-5-ylidenemethanamine

Database IDs

• PubChem SID: 164240455
• PubChem CID: 5578778

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.5903946
• LogD (pH = 7.4): 1.7551479
• Log P: 1.7577106
• Molar Refractivity: 69.4815 cm^3
• Polarizability: 24.409388 Å^3
• Polar Surface Area: 38.91 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds