9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one

• ChemBase编号: 310098
• 分子式: C8H14N2O2
• 平均质量: 170.20896
• 单一同位素质量: 170.1055277
• SMILES: N1(C(=O)COC2(C1)CCNC2)C
• Canonical SMILES: O=C1COC2(CN1C)CNCC2
• InChI: InChI=1S/C8H14N2O2/c1-10-6-8(2-3-9-5-8)12-4-7(10)11/h9H,2-6H2,1H3
• InChIKey: OJTKEOATCNOGGW-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
• IUPAC传统名: 9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one
• 别名: 9-methyl-6-oxa-2,9-diazaspiro[4.5]decan-8-one

理论计算性质

• 质子受体: 3
• 质子供体: 1
• LogD (pH = 5.5): -4.6523886
• LogD (pH = 7.4): -4.1903586
• Log P: -1.4210155
• 摩尔折射率: 43.9243 cm^3
• 极化性: 17.466167 Å^3
• 极化表面积: 41.57 Å^2