Cas no 77821-79-5 (1H-Cyclopenta[b]pyridine-3-carbonitrile,2,5,6,7-tetrahydro-4-methyl-2-oxo-)
![1H-Cyclopenta[b]pyridine-3-carbonitrile,2,5,6,7-tetrahydro-4-methyl-2-oxo- structure](https://ossimg.kuujia.com/scimg/78000/77821-79-5x500.png)
77821-79-5 structure
Product Name:1H-Cyclopenta[b]pyridine-3-carbonitrile,2,5,6,7-tetrahydro-4-methyl-2-oxo-
CAS No:77821-79-5
MF:C10H10N2O
MW:174.199202060699
CID:535493
PubChem ID:12652342
Update Time:2025-04-19
1H-Cyclopenta[b]pyridine-3-carbonitrile,2,5,6,7-tetrahydro-4-methyl-2-oxo- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Cyclopenta[b]pyridine-3-carbonitrile,2,5,6,7-tetrahydro-4-methyl-2-oxo-
-
- Inchi： 1S/C10H10N2O/c1-6-7-3-2-4-9(7)12-10(13)8(6)5-11/h2-4H2,1H3,(H,12,13)
- InChI Key： REWNZVJWNBXHLS-UHFFFAOYSA-N
- SMILES： O=C1C(C#N)=C(C)C2=C(CCC2)N1
Computed Properties
- Exact Mass: 174.0794
- Monoisotopic Mass: 174.079312947g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 0
- Complexity: 392
- 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: 0.3
- Topological Polar Surface Area: 52.9?2
Experimental Properties
- PSA: 52.89
1H-Cyclopenta[b]pyridine-3-carbonitrile,2,5,6,7-tetrahydro-4-methyl-2-oxo- Related Literature
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Adeline Huiling Loo,Alessandra Bonanni,Martin Pumera Analyst, 2013,138, 467-471
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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Rongyan Guo,Tao Li,Shuie Shi J. Mater. Chem. C, 2019,7, 5148-5154
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Xiao Liu,Jun Xu,Yinyun Lv,Wenyu Wu,Weisheng Liu,Yu Tang Dalton Trans., 2013,42, 9840-9846
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Shivani Sharma,Chia-Ming Wu,Ranjit T. Koodali,N. Rajesh RSC Adv., 2016,6, 26668-26678
77821-79-5 (1H-Cyclopenta[b]pyridine-3-carbonitrile,2,5,6,7-tetrahydro-4-methyl-2-oxo-) Related Products
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