1,2,4,9-tetrahydrospiro[carbazole-3,1'-cyclohexane]

• ChemBase ID: 180822
• Molecular Formular: C17H21N
• Molecular Mass: 239.35534
• Monoisotopic Mass: 239.16739968
• SMILES: c12c([nH]c3c1cccc3)CCC1(C2)CCCCC1
• Canonical SMILES: C1CCC2(CC1)CCc1c(C2)c2ccccc2[nH]1
• InChI: InChI=1S/C17H21N/c1-4-9-17(10-5-1)11-8-16-14(12-17)13-6-2-3-7-15(13)18-16/h2-3,6-7,18H,1,4-5,8-12H2
• InChIKey: KDNZCZBFBIXRFP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,2,4,9-tetrahydrospiro[carbazole-3,1'-cyclohexane]
• IUPAC Traditional name: 1,2,4,9-tetrahydrospiro[carbazole-3,1'-cyclohexane]

Database IDs

• PubChem SID: 164236732
• PubChem CID: 1747646

CALCULATED PROPERTIES

• Acid pKa: 17.210333
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 4.745402
• LogD (pH = 7.4): 4.745402
• Log P: 4.745402
• Molar Refractivity: 75.6827 cm^3
• Polarizability: 30.605421 Å^3
• Polar Surface Area: 15.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Classification: Rare Derivatives of Natural Compounds