HCID21464782

5,5-Dimethyloxazolin-2-one

5,5-dimethyl-1,3-oxazol-2-one

C5H7NO2113.11 g/mol

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IDENTITY

结构与身份

标准SMILES: CC1(C)C=NC(=O)O1
InChIKey: GPCRKGMEGRXFCV-UHFFFAOYSA-N
分子式: C5H7NO2
平均分子量: 113.11 g/mol
单同位素质量: 113.04767847

COMPUTED

结构计算性质

已同步

XLogP: 0.4
极性表面积: 38.7 Å²
氢键供体: 0
氢键受体: 2
可旋转键: 0
重原子: 8
形式电荷: 0
复杂度: 149

ALIASES

名称与别名

共 3 条

5,5-dimethyloxazolin-2-oneSCHEMBL2365811GPCRKGMEGRXFCV-UHFFFAOYSA-N

REACTIONS

参与反应

22 条

HRID 101465 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

HRID 108246 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

HRID 120938 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (2/10) · 10.1039/C8SC04228D

HRID 210891 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D

HRID 303482 反应方程式

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

HRID 313820 反应方程式

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

HRID 799771 反应方程式

Test data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D

HRID 939385 反应方程式

Validation data from https://doi.org/10.1039/C8SC04228D · 10.1039/C8SC04228D