1-cyclopentyl-4-[(methylamino)methyl]pyrrolidin-2-one

• ChemBase编号: 144346
• 分子式: C11H20N2O
• 平均质量: 196.2893
• 单一同位素质量: 196.15756327
• SMILES: CNCC1CC(=O)N(C1)C1CCCC1
• Canonical SMILES: CNCC1CN(C(=O)C1)C1CCCC1
• InChI: InChI=1S/C11H20N2O/c1-12-7-9-6-11(14)13(8-9)10-4-2-3-5-10/h9-10,12H,2-8H2,1H3
• InChIKey: HZBAEZTWEGMIPQ-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 1-cyclopentyl-4-[(methylamino)methyl]pyrrolidin-2-one
• IUPAC传统名: 1-cyclopentyl-4-[(methylamino)methyl]pyrrolidin-2-one
• 别名: 1-Cyclopentyl-4-[(methylamino)methyl]pyrrolidin-2-one; 1-cyclopentyl-4-[(methylamino)methyl]pyrrolidin-2-one

登记号

• MDL号: MFCD08059817
• PubChem SID: 162238561
• PubChem CID: 44827675

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -2.938803
• LogD (pH = 7.4): -2.525576
• Log P: 0.29431817
• 摩尔折射率: 56.3014 cm^3
• 极化性: 22.265976 Å^3
• 极化表面积: 32.34 Å^2
• 可自由旋转的化学键: 3
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C11H20N2O

详细说明

Sigma Aldrich - CBR01093

Analysis Note
may contain up to 0.5 eq carbonate
Other Notes
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