Cas no 61828-58-8 (1H-Pyrido[3,4-b]indole, 2-acetyl-2,3,4,9-tetrahydro-1-methylene-)
![1H-Pyrido[3,4-b]indole, 2-acetyl-2,3,4,9-tetrahydro-1-methylene- structure](https://ossimg.kuujia.com/scimg/62000/61828-58-8x500.png)
61828-58-8 structure
Product Name:1H-Pyrido[3,4-b]indole, 2-acetyl-2,3,4,9-tetrahydro-1-methylene-
CAS No:61828-58-8
MF:C14H14N2O
MW:226.273763179779
CID:465185
PubChem ID:13795031
Update Time:2025-04-19
1H-Pyrido[3,4-b]indole, 2-acetyl-2,3,4,9-tetrahydro-1-methylene- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrido[3,4-b]indole, 2-acetyl-2,3,4,9-tetrahydro-1-methylene-
- 1-(1-methylidene-4,9-dihydro-3H-pyrido[3,4-b]indol-2-yl)ethanone
- SCHEMBL6950760
- 61828-58-8
- 1-(1-Methylidene-1,3,4,9-tetrahydro-2H-beta-carbolin-2-yl)ethan-1-one
- 1-Methylene-2-acetyl-1,2,3,4-tetrahydro-beta-carboline
- GFFLEAFQOQBBTA-UHFFFAOYSA-N
- DTXSID50549696
-
- Inchi： 1S/C14H14N2O/c1-9-14-12(7-8-16(9)10(2)17)11-5-3-4-6-13(11)15-14/h3-6,15H,1,7-8H2,2H3
- InChI Key： GFFLEAFQOQBBTA-UHFFFAOYSA-N
- SMILES： O=C(C)N1C(=C)C2=C(C3C=CC=CC=3N2)CC1
Computed Properties
- Exact Mass: 226.11072
- Monoisotopic Mass: 226.110613074g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 17
- Rotatable Bond Count: 0
- Complexity: 352
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2
- Topological Polar Surface Area: 36.1?2
Experimental Properties
- PSA: 36.1
1H-Pyrido[3,4-b]indole, 2-acetyl-2,3,4,9-tetrahydro-1-methylene- Related Literature
-
Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
-
Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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Peiyuan Zeng,Xiaoxiao Wang,Ming Ye,Qiuyang Ma,Jianwen Li,Wanwan Wang,Baoyou Geng,Zhen Fang RSC Adv., 2016,6, 23074-23084
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