2-(2-cyclopentylacetyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 726885
• 分子式: C19H30N2O2
• 平均质量: 318.4537
• 单一同位素质量: 318.23072821
• SMILES: C12(C(=O)N(CC3CC3)CCC2)CN(C(=O)CC2CCCC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CC1CC1)CC1CCCC1
• InChI: InChI=1S/C19H30N2O2/c22-17(12-15-4-1-2-5-15)21-11-9-19(14-21)8-3-10-20(18(19)23)13-16-6-7-16/h15-16H,1-14H2
• InChIKey: NNUZLZPURPUICT-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(2-cyclopentylacetyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• IUPAC传统名: 2-(2-cyclopentylacetyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one
• 别名: 2-(cyclopentylacetyl)-7-(cyclopropylmethyl)-2,7-diazaspiro[4.5]decan-6-one

理论计算性质

JChem

• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.0070832
• LogD (pH = 7.4): 2.007085
• Log P: 2.007085
• 摩尔折射率: 89.9905 cm^3
• 极化性: 35.2278 Å^3
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 4
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 2.72
• LOG S: -3.85
• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 4