uspto-grants-1989_07 · 10.6084/m9.figshare.5104873.v1 · US04847256
查看IDENTITY
结构与身份
- 标准SMILES
- CN(C)C=CC(=O)c1ccncc1
- InChIKey
- JZGHSXBVKSMAKH-UHFFFAOYSA-N
- 分子式
- C10H12N2O
- 平均分子量
- 176.21 g/mol
- 单同位素质量
- 176.09496301
COMPUTED
结构计算性质
- XLogP
- 0.9
- 极性表面积
- 33.2 Ų
- 氢键供体
- 0
- 氢键受体
- 3
- 可旋转键
- 3
- 重原子
- 13
- 形式电荷
- 0
- 复杂度
- 193
ALIASES
名称与别名
66521-53-72-Propen-1-one, 3-(dimethylamino)-1-(4-pyridinyl)-3-dimethylamino-1-pyridin-4-yl-propenone3-(Dimethylamino)-1-(4-pyridyl)-2-propen-1-one3-(dimethylamino)-1-pyridin-4-ylprop-2-en-1-oneSCHEMBL1863JZGHSXBVKSMAKH-UHFFFAOYSA-NAKOS017382091AB03478SY084820DB-105104DB-2283813-dimethylamino-1-(4-pyridyl)-2-propen-1-one1-(4-pyridyl)-2-(dimethylaminomethylene)ethanone3-(dimethylamino)-1-(4-pyridyl)prop-2-en-1-one3-dimethylamino-1-(4-pyridinyl)-2-propen-1-oneF958438
REACTIONS
参与反应
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