HRID148421
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物IDENTITY
结构与身份
- 标准 SMILES
- CCC1COC(=O)N1
- InChIKey
- CRHQYASHOICRND-UHFFFAOYSA-N
- 分子式
- C5H9NO2
- 平均分子量
- 115.13 g/mol
- 单同位素质量
- 115.06332853
COMPUTED
结构计算性质
- XLogP
- 0.7
- 极性表面积
- 38.3 Ų
- 氢键供体
- 1
- 氢键受体
- 2
- 可旋转键
- 1
- 重原子
- 8
- 形式电荷
- 0
- 复杂度
- 103
ALIASES
名称与别名
4-Ethyl-2-oxazolidinone2-Oxazolidinone, 4-ethyl-NSC 37751BRN 01085524-27-00-02562 (Beilstein Handbook Reference)RefChem:988684-Ethyl-1,3-oxazolidin-2-one16112-60-04-Ethyloxazolidin-2-oneMFCD000688494-ethyl-oxazolidin-2-one2-Oxazolidinone,4-ethyl-NSC37751SCHEMBL1289905SCHEMBL1289907SCHEMBL1438806SCHEMBL1937012DTXSID2013139932-Oxazolidinone,4-ethyl-,(4R)-ALBB-022268
REACTIONS
参与反应
HRID161737
Training data from https://doi.org/10.1039/C8SC04228D (9/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D
查看条件与参与物HRID211695
Training data from https://doi.org/10.1039/C8SC04228D (6/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
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Training data from https://doi.org/10.1039/C8SC04228D (8/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (8/10) · 10.1039/C8SC04228D
查看条件与参与物HRID677627
Training data from https://doi.org/10.1039/C8SC04228D (3/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D
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Test data from https://doi.org/10.1039/C8SC04228D
作为反应物
Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D
查看条件与参与物HRID1136189
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看条件与参与物HRID1139048
Training data from https://doi.org/10.1039/C8SC04228D (7/10)
作为反应物
Training data from https://doi.org/10.1039/C8SC04228D (7/10) · 10.1039/C8SC04228D
查看条件与参与物