HCID19081118

5,6,7,8-Tetrahydroisoquinolin-1(2H)-one

5,6,7,8-tetrahydro-2H-isoquinolin-1-one

C9H11NO149.19 g/molCAS 26345-15-3

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IDENTITY

结构与身份

标准SMILES: O=c1[nH]ccc2c1CCCC2
InChIKey: BSSAYGWMFGXIPF-UHFFFAOYSA-N
分子式: C9H11NO
平均分子量: 149.19 g/mol
单同位素质量: 149.08406397

COMPUTED

结构计算性质

已同步

XLogP: 1.1
极性表面积: 29.1 Å²
氢键供体: 1
氢键受体: 1
可旋转键: 0
重原子: 11
形式电荷: 0
复杂度: 250

ALIASES

名称与别名

共 19 条

26345-15-35,6,7,8-Tetrahydroisoquinolin-1(2H)-one5,6,7,8-Tetrahydroisoquinolin-1-ol5,6,7,8-Tetrahydro-2H-isoquinolin-1-one1(2H)-Isoquinolinone, 5,6,7,8-tetrahydro-MFCD18432100SCHEMBL917625SCHEMBL2624105DTXSID80597887BSSAYGWMFGXIPF-UHFFFAOYSA-NMFCD184278485,6,7,8-tetrahydro-1-isoquinolinolAKOS006347706AKOS023832392GS-0619hydroxy-5,6,7,8-tetrahydroisoquinoline5,6,7,8-tetrahydro-isoquinolin-1(2h)-oneCS-0312111F720377

REACTIONS

参与反应

1 条

uspto-grants-2010_09 · 10.6084/m9.figshare.5104873.v1 · US07795278B2

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