HCID57493808

3-(Phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

3-(2-phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

C15H16N2O240.3 g/mol

查看相关反应子结构检索查找相似结构

IDENTITY

结构与身份

标准SMILES: C(#Cc1ccccc1)C1=NOC2(CCNCC2)C1
InChIKey: OAFMUTZKNQHDLX-UHFFFAOYSA-N
分子式: C15H16N2O
平均分子量: 240.3 g/mol
单同位素质量: 240.12626314

COMPUTED

结构计算性质

已同步

XLogP: 2.3
极性表面积: 33.6 Å²
氢键供体: 1
氢键受体: 3
可旋转键: 2
重原子: 18
形式电荷: 0
复杂度: 389

ALIASES

名称与别名

共 3 条

SCHEMBL134018OAFMUTZKNQHDLX-UHFFFAOYSA-N3-(Phenylethynyl)-1-oxa-2,8-diazaspiro[4.5]dec-2-ene

REACTIONS

参与反应

24 条

HRID 135116 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

HRID 138585 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

HRID 169004 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (9/10) · 10.1039/C8SC04228D

HRID 695957 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

HRID 696607 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (3/10) · 10.1039/C8SC04228D

HRID 830637 反应方程式

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

HRID 1542109 反应方程式

Training data from https://doi.org/10.1039/C8SC04228D (1/10) · 10.1039/C8SC04228D

HRID 2040840 反应方程式

uspto-grants-2013_11 · 10.6084/m9.figshare.5104873.v1 · US08580962B2