(10bR)-5,10b-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H,10bH-cyclopenta[a]quinolizin-5-ium iodide

• ChemBase编号: 185248
• 分子式: C14H24IN
• 平均质量: 333.25153
• 单一同位素质量: 333.09534777
• SMILES: [C@@]12([N+](CCC3=C1CCC3)(C)CCCC2)C.[I-]
• Canonical SMILES: C[N+]12CCCC[C@]2(C)C2=C(CC1)CCC2.[I-]
• InChI: InChI=1S/C14H24N.HI/c1-14-9-3-4-10-15(14,2)11-8-12-6-5-7-13(12)14;/h3-11H2,1-2H3;1H/q+1;/p-1/t14-,15?;/m1./s1
• InChIKey: CCFKXVZDDBPVFI-FUISWZMFSA-M

名称和登记号

名称

• IUPAC标准名: (10bR)-5,10b-dimethyl-1H,2H,3H,4H,5H,6H,7H,8H,9H,10H,10bH-cyclopenta[a]quinolizin-5-ium iodide
• IUPAC传统名: (10bR)-5,10b-dimethyl-1H,2H,3H,4H,6H,7H,8H,9H,10H-cyclopenta[a]quinolizin-5-ium iodide

登记号

• PubChem SID: 164241158
• PubChem CID: 52993424

理论计算性质

• 质子受体: 0
• 质子供体: 0
• LogD (pH = 5.5): -1.66954
• LogD (pH = 7.4): -1.66954
• Log P: -1.66954
• 摩尔折射率: 76.8195 cm^3
• 极化性: 25.582415 Å^3
• 极化表面积: 0.0 Å^2
• 可自由旋转的化学键: 0
• 里宾斯基五规则: true

分子性质

产品相关信息

• 成盐信息: I-
• 分类: Rare Derivatives of Natural Compounds