Training data from https://doi.org/10.1039/C8SC04228D (6/10) · 10.1039/C8SC04228D
查看IDENTITY
结构与身份
- 标准SMILES
- O=C1CC(c2ccccc2)CN1
- InChIKey
- HOJZEMQCQRPLQQ-UHFFFAOYSA-N
- 分子式
- C10H11NO
- 平均分子量
- 161.2 g/mol
- 单同位素质量
- 161.08406397
COMPUTED
结构计算性质
- XLogP
- 1
- 极性表面积
- 29.1 Ų
- 氢键供体
- 1
- 氢键受体
- 1
- 可旋转键
- 1
- 重原子
- 12
- 形式电荷
- 0
- 复杂度
- 173
物化、安全与法规信息正在同步。
ALIASES
名称与别名
1198-97-64-Phenyl-2-pyrrolidinone4-Phenylpyrrolidone-2RefChem:1003794-Phenyl-2-pyrrolidone4-phenylpyrrolidin-2-one2-Pyrrolidinone, 4-phenyl-Phenylpyrrolidone4-Phenyl-pyrrolidin-2-oneMFCD016872263-phenyl-3,4-dihydro-2H-pyrrol-5-olCHEMBL2864194-Phenyl-2-pyrrolidinone; 4-Phenyl-2-pyrrolidone; ss-Phenyl-?-aminobutyric Acid LactamChemDiv2_001857MLS000762405SCHEMBL531338F2147-0209orb3029571SCHEMBL3947051SCHEMBL8347265
REACTIONS
参与反应
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