3',4'-dihydro-2'H-spiro[cyclopentane-1,1'-pyrrolo[1,2-a]pyrazine]

• ChemBase编号: 309020
• 分子式: C11H16N2
• 平均质量: 176.25814
• 单一同位素质量: 176.13134852
• SMILES: c12n(ccc2)CCNC21CCCC2
• Canonical SMILES: C1CCC2(C1)NCCn1c2ccc1
• InChI: InChI=1S/C11H16N2/c1-2-6-11(5-1)10-4-3-8-13(10)9-7-12-11/h3-4,8,12H,1-2,5-7,9H2
• InChIKey: GVGZDJBTVHBYHL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 3',4'-dihydro-2'H-spiro[cyclopentane-1,1'-pyrrolo[1,2-a]pyrazine]
• IUPAC传统名: 3',4'-dihydro-2'H-spiro[cyclopentane-1,1'-pyrrolo[1,2-a]pyrazine]
• 别名: 3',4'-dihydro-2'H-spiro[cyclopentane-1,1'-pyrrolo[1,2-a]pyrazine]

登记号

• CAS号: 1210719-18-8
• MDL号: MFCD11868482

理论计算性质

• 质子受体: 1
• 质子供体: 1
• LogD (pH = 5.5): -1.0280813
• LogD (pH = 7.4): 0.5972645
• Log P: 1.8621016
• 摩尔折射率: 53.1728 cm^3
• 极化性: 20.922562 Å^3
• 极化表面积: 16.96 Å^2