7-(cyclohexylmethyl)-2-cyclopropanecarbonyl-2,7-diazaspiro[4.5]decan-6-one

• ChemBase编号: 489521
• 分子式: C19H30N2O2
• 平均质量: 318.4537
• 单一同位素质量: 318.23072821
• SMILES: C12(C(=O)N(CC3CCCCC3)CCC2)CN(C(=O)C2CC2)CC1
• Canonical SMILES: O=C(N1CCC2(C1)CCCN(C2=O)CC1CCCCC1)C1CC1
• InChI: InChI=1S/C19H30N2O2/c22-17(16-7-8-16)21-12-10-19(14-21)9-4-11-20(18(19)23)13-15-5-2-1-3-6-15/h15-16H,1-14H2
• InChIKey: XHZDRBCVNBXHKF-UHFFFAOYSA-N

名称和登记号

名称

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

理论计算性质

Provided by Chembridge

• 极化表面积: 40.62 Å^2
• 可自由旋转的化学键: 3
• 质子受体: 2
• 质子供体: 0
• Log P: 1.91
• LOG S: -3.0

JChem

• 可自由旋转的化学键: 3
• 里宾斯基五规则: true
• 质子受体: 2
• 质子供体: 0
• LogD (pH = 5.5): 2.2630508
• LogD (pH = 7.4): 2.2630522
• Log P: 2.2630522
• 摩尔折射率: 90.0164 cm^3
• 极化性: 35.2278 Å^3
• 极化表面积: 40.62 Å^2