5-hydroxy-1-methylpiperidin-2-one

• ChemBase编号: 310156
• 分子式: C6H11NO2
• 平均质量: 129.15704
• 单一同位素质量: 129.0789786
• SMILES: N1(C(=O)CCC(C1)O)C
• Canonical SMILES: OC1CCC(=O)N(C1)C
• InChI: InChI=1S/C6H11NO2/c1-7-4-5(8)2-3-6(7)9/h5,8H,2-4H2,1H3
• InChIKey: UCSPSEUVPQTOQD-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 5-hydroxy-1-methylpiperidin-2-one
• IUPAC传统名: 5-hydroxy-1-methylpiperidin-2-one
• 别名: 5-hydroxy-1-methyl-2-piperidinone

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -0.9862682
• LogD (pH = 7.4): -0.98626816
• Log P: -0.98626816
• 摩尔折射率: 33.1171 cm^3
• 极化性: 12.922368 Å^3
• 极化表面积: 40.54 Å^2