2',8'-dimethyl-7',8'-dihydro-1'H-spiro[cyclohexane-1,6'-cyclopenta[g]indole]

• ChemBase ID: 192348
• Molecular Formular: C18H23N
• Molecular Mass: 253.38192
• Monoisotopic Mass: 253.18304974
• SMILES: c12c3c(C4(CC3C)CCCCC4)ccc2cc([nH]1)C
• Canonical SMILES: CC1CC2(c3c1c1[nH]c(cc1cc3)C)CCCCC2
• InChI: InChI=1S/C18H23N/c1-12-11-18(8-4-3-5-9-18)15-7-6-14-10-13(2)19-17(14)16(12)15/h6-7,10,12,19H,3-5,8-9,11H2,1-2H3
• InChIKey: NQGFTPWLXYJFMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2',8'-dimethyl-7',8'-dihydro-1'H-spiro[cyclohexane-1,6'-cyclopenta[g]indole]
• IUPAC Traditional name: 2',8'-dimethyl-7',8'-dihydro-1'H-spiro[cyclohexane-1,6'-cyclopenta[g]indole]

Database IDs

• PubChem SID: 164248258
• PubChem CID: 3295749

CALCULATED PROPERTIES

• Acid pKa: 16.914331
• H Acceptors: 0
• H Donor: 1
• LogD (pH = 5.5): 5.02332
• LogD (pH = 7.4): 5.02332
• Log P: 5.02332
• Molar Refractivity: 80.7485 cm^3
• Polarizability: 32.3665 Å^3
• Polar Surface Area: 15.79 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: false

PROPERTIES

Product Information

• Classification: Derivatives & analogs of Natural Compounds