Cas no 88302-09-4 (2(1H)-Pyridinone, 6-ethyl-5-(1-oxopropyl)-)
88302-09-4 structure
Product Name:2(1H)-Pyridinone, 6-ethyl-5-(1-oxopropyl)-
CAS No:88302-09-4
MF:C10H13NO2
MW:179.215722799301
CID:638236
PubChem ID:13236508
Update Time:2025-04-19
2(1H)-Pyridinone, 6-ethyl-5-(1-oxopropyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyridinone, 6-ethyl-5-(1-oxopropyl)-
- 6-ethyl-5-propanoyl-1H-pyridin-2-one
- JMDUPPQVQZVCFS-UHFFFAOYSA-N
- 6-Ethyl-5-propanoylpyridin-2(1H)-one
- DTXSID20530879
- 88302-09-4
- SCHEMBL10989494
- 6-ethyl-5-(n-propanoyl)-2(1H)-pyridinone
- 5-propanoyl-6-ethyl-2(1h)-pyridone
-
- Inchi： 1S/C10H13NO2/c1-3-8-7(9(12)4-2)5-6-10(13)11-8/h5-6H,3-4H2,1-2H3,(H,11,13)
- InChI Key： JMDUPPQVQZVCFS-UHFFFAOYSA-N
- SMILES： O=C(CC)C1C=CC(NC=1CC)=O
Computed Properties
- Exact Mass: 179.094628657g/mol
- Monoisotopic Mass: 179.094628657g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 3
- Complexity: 300
- 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: 0.9
- Topological Polar Surface Area: 46.2?2
2(1H)-Pyridinone, 6-ethyl-5-(1-oxopropyl)- Related Literature
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Dan Yang,Yanping Zhou,Xianhong Rui,Jixin Zhu,Ziyang Lu,Eileen Fong,Qingyu Yan RSC Adv., 2013,3, 14960-14962
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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J. Matthew Kurley,Phillip W. Halstenberg,Abbey McAlister,Stephen Raiman,Richard T. Mayes RSC Adv., 2019,9, 25602-25608
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Yi Cao,Yujiao Xiahou,Lixiang Xing,Xiang Zhang,Hong Li,ChenShou Wu,Haibing Xia Nanoscale, 2020,12, 20456-20466
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Manickam Bakthadoss,Tadiparthi Thirupathi Reddy,Vishal Agarwal,Duddu S. Sharada Chem. Commun., 2022,58, 1406-1409
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