Cas no 88302-00-5 (3-Pyridinecarbonitrile, 6-ethyl-1,2-dihydro-2-oxo-5-(1-oxopropyl)-)
88302-00-5 structure
Product Name:3-Pyridinecarbonitrile, 6-ethyl-1,2-dihydro-2-oxo-5-(1-oxopropyl)-
CAS No:88302-00-5
MF:C11H12N2O2
MW:204.225182533264
CID:638245
PubChem ID:10375633
Update Time:2025-04-19
3-Pyridinecarbonitrile, 6-ethyl-1,2-dihydro-2-oxo-5-(1-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyridinecarbonitrile, 6-ethyl-1,2-dihydro-2-oxo-5-(1-oxopropyl)-
- 6-ethyl-2-oxo-5-propanoyl-1H-pyridine-3-carbonitrile
- 88302-00-5
- SCHEMBL9477815
- CCZMLHPMPMJRPT-UHFFFAOYSA-N
- 6-ethyl-1,2-dihydro-2-oxo-5-(n-propanoyl)nicotinonitrile
- DTXSID80438903
-
- Inchi： 1S/C11H12N2O2/c1-3-9-8(10(14)4-2)5-7(6-12)11(15)13-9/h5H,3-4H2,1-2H3,(H,13,15)
- InChI Key： CCZMLHPMPMJRPT-UHFFFAOYSA-N
- SMILES： O=C(CC)C1C=C(C#N)C(NC=1CC)=O
Computed Properties
- Exact Mass: 204.089877630g/mol
- Monoisotopic Mass: 204.089877630g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 15
- Rotatable Bond Count: 3
- Complexity: 421
- 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: 0.8
- Topological Polar Surface Area: 70?2
3-Pyridinecarbonitrile, 6-ethyl-1,2-dihydro-2-oxo-5-(1-oxopropyl)- Related Literature
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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Jing Yu,Yu-Qi Lyu,Jiapeng Liu,Mohammed B. Effat,Junxiong Wu J. Mater. Chem. A, 2019,7, 17995-18002
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Yong Ping Huang,Tao Tao,Zheng Chen,Wei Han,Ying Wu,Chunjiang Kuang,Shaoxiong Zhou,Ying Chen J. Mater. Chem. A, 2014,2, 18831-18837
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