6-cyclohexyl-9-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one

• ChemBase ID: 184271
• Molecular Formular: C19H23NO
• Molecular Mass: 281.39202
• Monoisotopic Mass: 281.17796436
• SMILES: n1(c2c(c3c1ccc(c3)C1CCCCC1)CCCC2=O)C
• Canonical SMILES: O=C1CCCc2c1n(C)c1c2cc(cc1)C1CCCCC1
• InChI: InChI=1S/C19H23NO/c1-20-17-11-10-14(13-6-3-2-4-7-13)12-16(17)15-8-5-9-18(21)19(15)20/h10-13H,2-9H2,1H3
• InChIKey: CZGITVUYPOAWIN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 6-cyclohexyl-9-methyl-2,3,4,9-tetrahydro-1H-carbazol-1-one
• IUPAC Traditional name: 6-cyclohexyl-9-methyl-3,4-dihydro-2H-carbazol-1-one

Database IDs

• PubChem SID: 164240181
• PubChem CID: 535444

CALCULATED PROPERTIES

• Acid pKa: 17.096775
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 4.638553
• LogD (pH = 7.4): 4.638553
• Log P: 4.638553
• Molar Refractivity: 86.379 cm^3
• Polarizability: 34.28685 Å^3
• Polar Surface Area: 22.0 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds