9-[(1E)-prop-1-en-1-yl]-9H-carbazole

• ChemBase ID: 187213
• Molecular Formular: C15H13N
• Molecular Mass: 207.27042
• Monoisotopic Mass: 207.10479942
• SMILES: n1(c2c(c3c1cccc3)cccc2)/C=C/C
• Canonical SMILES: C/C=C/n1c2ccccc2c2c1cccc2
• InChI: InChI=1S/C15H13N/c1-2-11-16-14-9-5-3-7-12(14)13-8-4-6-10-15(13)16/h2-11H,1H3/b11-2+
• InChIKey: SFQDJUABNNSJHB-BIIKFXOESA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 9-[(1E)-prop-1-en-1-yl]-9H-carbazole
• IUPAC Traditional name: 9-[(1E)-prop-1-en-1-yl]carbazole

Database IDs

• PubChem SID: 164243123
• PubChem CID: 1757412

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 4.205871
• LogD (pH = 7.4): 4.205871
• Log P: 4.205871
• Molar Refractivity: 67.7346 cm^3
• Polarizability: 28.730076 Å^3
• Polar Surface Area: 4.93 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds