HCID58911257

1-(4-Methoxybenzyl)-5-oxopyrrolidine-3-carbaldehyde

1-[(4-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carbaldehyde

C13H15NO3233.26 g/mol

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IDENTITY

结构与身份

标准SMILES: COc1ccc(CN2CC(C=O)CC2=O)cc1
InChIKey: FGBMIGVVEQZDQU-UHFFFAOYSA-N
分子式: C13H15NO3
平均分子量: 233.26 g/mol
单同位素质量: 233.10519334

COMPUTED

结构计算性质

已同步

XLogP: 0.4
极性表面积: 46.6 Å²
氢键供体: 0
氢键受体: 3
可旋转键: 4
重原子: 17
形式电荷: 0
复杂度: 284

ALIASES

名称与别名

共 5 条

1-(4-Methoxybenzyl)-5-oxopyrrolidine-3-carbaldehyde854141-87-0SCHEMBL2953151FGBMIGVVEQZDQU-UHFFFAOYSA-N1-(4-methoxy-benzyl)-5-oxo-pyrrolidine-3-carbaldehyde

REACTIONS

参与反应

4 条

Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D

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uspto-grants-2007_07 · 10.6084/m9.figshare.5104873.v1 · US07244747B2

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uspto-grants-2007_07 · 10.6084/m9.figshare.5104873.v1 · US07244747B2

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