4-(aminomethyl)-1-cyclopentylpyrrolidin-2-one

• ChemBase编号: 144348
• 分子式: C10H18N2O
• 平均质量: 182.26272
• 单一同位素质量: 182.14191321
• SMILES: C1CCC(C1)N1CC(CC1=O)CN
• Canonical SMILES: NCC1CC(=O)N(C1)C1CCCC1
• InChI: InChI=1S/C10H18N2O/c11-6-8-5-10(13)12(7-8)9-3-1-2-4-9/h8-9H,1-7,11H2
• InChIKey: ZOLCWNZDFIUXHL-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 4-(aminomethyl)-1-cyclopentylpyrrolidin-2-one
• IUPAC传统名: 4-(aminomethyl)-1-cyclopentylpyrrolidin-2-one
• 别名: 4-(Aminomethyl)-1-cyclopentylpyrrolidin-2-one; 4-(aminomethyl)-1-cyclopentylpyrrolidin-2-one

登记号

• CAS号: 893750-56-6
• MDL号: MFCD06804421
• PubChem SID: 162238563
• PubChem CID: 44827674

理论计算性质

• 质子受体: 2
• 质子供体: 1
• LogD (pH = 5.5): -3.14678
• LogD (pH = 7.4): -2.4224453
• Log P: -0.13826223
• 摩尔折射率: 51.5268 cm^3
• 极化性: 20.424976 Å^3
• 极化表面积: 46.33 Å^2
• 可自由旋转的化学键: 2
• 里宾斯基五规则: true

分子性质

产品相关信息

• Empirical Formula (Hill Notation): C10H18N2O

详细说明

Sigma Aldrich - CBR01092

Analysis Note
may contain up to 0.5 eq carbonate
Other Notes
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