275-68-3 (环庚[b]吡咯,Cyclohepta[b]pyrrole)

快速询单

结构式：

环庚[b]吡咯MOL文件

CAS号：

275-68-3

中文名称：

环庚[b]吡咯

英文名称：

Cyclohepta[b]pyrrole

分子式：

C₉H₇N

分子量：

129.158581972122

环庚[b]吡咯(275-68-3)名称与标识符

名称

英文别名：

Cyclohepta[b]pyrrole;1-Azaazulene;275-68-3;cyclohepta[b]pyrrol;SCHEMBL1533669;azaazulene;DTXSID50550005;AKOS006370460;LMBQFLQKKMVTMV-UHFFFAOYSA-N;

标识符

InChIKey：

LMBQFLQKKMVTMV-UHFFFAOYSA-N

Inchi：

1S/C9H7N/c1-2-4-8-6-7-10-9(8)5-3-1/h1-7H

SMILES：

N1C=CC2=CC=CC=CC=12

环庚[b]吡咯(275-68-3)物化性质

实验特性

PSA : 12.89

计算特性

精确分子量 : 129.05791
氢键供体数量 : 0
氢键受体数量 : 1
可旋转化学键数量 : 0
同位素质量 : 129.057849228g/mol
重原子数量 : 10
复杂度 : 111
同位素原子数量 : 0
确定原子立构中心数量 : 0
不确定原子立构中心数量 : 0
确定化学键立构中心数量 : 0
不确定化学键立构中心数量 : 0
共价键单元数量 : 1
疏水参数计算参考值（XlogP） : 1.9
拓扑分子极性表面积 : 12.9Å²

环庚[b]吡咯(275-68-3)相关文献

1. Tandem Michael addition/imine isomerization/intramolecular [3+2] cycloaddition for the regiospecific synthesis of cyclohepta[b]pyrroles
Yu Zhang,Ling Pan,Xianxiu Xu,Hongmei Luo,Qun Liu Chem. Commun. 2014 50 11039
2. Synthesis, structure, and reactivity of (triphenylarsoranylidene)methylcyclohepta-2,4,6-trienone derivatives: reactions with heterocumulenes and an activated acetylene
Yuhki Mitsumoto,Makoto. Nitta J. Chem. Soc. Perkin Trans. 1 2002 2268
3. Substituent effect on the transition from ionic to covalent bonding in triphenylphosphonium ylide derivatives: reactivity of 3-methyl-2,2,2-triphenyl-2H-cyclohepta[d][1,2λ5]oxaphosphole with heterocumulenes
Shin-ichi Naya,Makoto Nitta J. Chem. Soc. Perkin Trans. 2 2002 1017
4. On the reaction of N-vinyliminophosphoranes. Part 7. A short new 1-aza-azulene synthesis
Makoto Nitta,Yukio Lino,Eijiro Hara,Tomoshige Kobayashi J. Chem. Soc. Perkin Trans. 1 1989 51
5. Studies on heterocyclic analogues of azulene. Part 2. Cycloaddition reactions of aza-analogues of azulene with dimethyl acetylenedicarboxylate: intermediacy of a 1,8-dipolar species
Noritaka Abe,Yasuko Tanaka,Tarozaemon Nishiwaki J. Chem. Soc. Perkin Trans. 1 1978 429
6. Synthesis, structure, and reactivity of (tropon-2-ylimino)arsorane and in situ generation of its stiborane and -bismuthorane analogues: reactions with heterocumulenes and an activated acetylene giving heteroazulenes
Makoto Nitta,Yuhki Mitsumoto,Hiroyuki Yamamoto J. Chem. Soc. Perkin Trans. 1 2001 1901
7. Gold-catalyzed hydroarylation reactions: a comprehensive overview
Tapas Ghosh,Joydip Chatterjee,Sayantika Bhakta Org. Biomol. Chem. 2022 20 7151
8. Back cover
J. Chem. Soc. Perkin Trans. 2 1986 X036