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

• ChemBase编号: 192348
• 分子式: C18H23N
• 平均质量: 253.38192
• 单一同位素质量: 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

名称和登记号

名称

• IUPAC标准名: 2',8'-dimethyl-7',8'-dihydro-1'H-spiro[cyclohexane-1,6'-cyclopenta[g]indole]
• IUPAC传统名: 2',8'-dimethyl-7',8'-dihydro-1'H-spiro[cyclohexane-1,6'-cyclopenta[g]indole]

登记号

• PubChem SID: 164248258
• PubChem CID: 3295749

理论计算性质

• Acid pKa: 16.914331
• 质子受体: 0
• 质子供体: 1
• LogD (pH = 5.5): 5.02332
• LogD (pH = 7.4): 5.02332
• Log P: 5.02332
• 摩尔折射率: 80.7485 cm^3
• 极化性: 32.3665 Å^3
• 极化表面积: 15.79 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: false

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds