(3Z)-1-methyl-3-[(1-methyl-1H-indol-3-yl)methylidene]-2,3-dihydro-1H-indol-2-one

• ChemBase编号: 220334
• 分子式: C19H16N2O
• 平均质量: 288.34314
• 单一同位素质量: 288.12626314
• SMILES: C\1(=C/c2cn(c3c2cccc3)C)/C(=O)N(c2c1cccc2)C
• Canonical SMILES: CN1c2ccccc2/C(=C/c2cn(c3c2cccc3)C)/C1=O
• InChI: InChI=1S/C19H16N2O/c1-20-12-13(14-7-3-5-9-17(14)20)11-16-15-8-4-6-10-18(15)21(2)19(16)22/h3-12H,1-2H3/b16-11-
• InChIKey: ZZBHNNCWLWZHSS-WJDWOHSUSA-N

名称和登记号

名称

• IUPAC标准名: (3Z)-1-methyl-3-[(1-methyl-1H-indol-3-yl)methylidene]-2,3-dihydro-1H-indol-2-one
• IUPAC传统名: (3Z)-1-methyl-3-[(1-methylindol-3-yl)methylidene]indol-2-one

登记号

• PubChem SID: 164276244
• PubChem CID: 17572156

理论计算性质

• 质子受体: 1
• 质子供体: 0
• LogD (pH = 5.5): 3.4517343
• LogD (pH = 7.4): 3.4517343
• Log P: 3.4517343
• 摩尔折射率: 88.8304 cm^3
• 极化性: 34.692696 Å^3
• 极化表面积: 25.24 Å^2
• 可自由旋转的化学键: 1
• 里宾斯基五规则: true

分子性质

产品相关信息

• 分类: Derivatives & analogs of Natural Compounds