2-(cyclopent-2-en-1-yl)-N-(furan-2-ylmethyl)-N-(prop-2-en-1-yl)acetamide

• ChemBase编号: 716123
• 分子式: C15H19NO2
• 平均质量: 245.31686
• 单一同位素质量: 245.14157885
• SMILES: C(=O)(N(Cc1occc1)CC=C)CC1C=CCC1
• Canonical SMILES: C=CCN(C(=O)CC1C=CCC1)Cc1ccco1
• InChI: InChI=1S/C15H19NO2/c1-2-9-16(12-14-8-5-10-18-14)15(17)11-13-6-3-4-7-13/h2-3,5-6,8,10,13H,1,4,7,9,11-12H2
• InChIKey: JOLVLKITPILFBK-UHFFFAOYSA-N

名称和登记号

名称

• IUPAC标准名: 2-(cyclopent-2-en-1-yl)-N-(furan-2-ylmethyl)-N-(prop-2-en-1-yl)acetamide
• IUPAC传统名: 2-(cyclopent-2-en-1-yl)-N-(furan-2-ylmethyl)-N-(prop-2-en-1-yl)acetamide
• 别名: N-allyl-2-cyclopent-2-en-1-yl-N-(2-furylmethyl)acetamide

理论计算性质

JChem

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 2.4286463
• LogD (pH = 7.4): 2.4286468
• Log P: 2.4286468
• 摩尔折射率: 72.7184 cm^3
• 极化性: 27.441315 Å^3
• 极化表面积: 33.45 Å^2
• 可自由旋转的化学键: 6
• 里宾斯基五规则: true

Provided by Chembridge

• 质子受体: 2
• 质子供体: 0
• Log P: 2.52
• LOG S: -3.15
• 极化表面积: 33.45 Å^2
• 可自由旋转的化学键: 6