Cas no 88302-14-1 (2(1H)-Pyridinone, 6-methyl-5-(1-oxobutyl)-)
88302-14-1 structure
Product Name:2(1H)-Pyridinone, 6-methyl-5-(1-oxobutyl)-
CAS No:88302-14-1
MF:C10H13NO2
MW:179.215722799301
CID:638232
PubChem ID:13232042
Update Time:2025-04-19
2(1H)-Pyridinone, 6-methyl-5-(1-oxobutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2(1H)-Pyridinone, 6-methyl-5-(1-oxobutyl)-
- 5-butanoyl-6-methyl-1H-pyridin-2-one
- 88302-14-1
- 5-Butanoyl-6-methylpyridin-2(1H)-one
- DTXSID80530552
- MSXMPMNVVDJBHQ-UHFFFAOYSA-N
- 5-(n-butanoyl)-6-methyl-2(1H)-pyridinone
- SCHEMBL10812110
-
- Inchi： 1S/C10H13NO2/c1-3-4-9(12)8-5-6-10(13)11-7(8)2/h5-6H,3-4H2,1-2H3,(H,11,13)
- InChI Key： MSXMPMNVVDJBHQ-UHFFFAOYSA-N
- SMILES： O=C(C1C=CC(NC=1C)=O)CCC
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: 0.8
- Topological Polar Surface Area: 46.2?2
2(1H)-Pyridinone, 6-methyl-5-(1-oxobutyl)- Related Literature
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Chen-Yu Chien,Sheng-Sheng Yu Chem. Commun., 2020,56, 11949-11952
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
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Shun-Ze Zhan,Mian Li,Xiao-Ping Zhou,Dan Li,Seik Weng Ng RSC Adv., 2011,1, 1457-1459
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Andreas Nenning,Manuel Holzmann,Jürgen Fleig,Alexander K. Opitz Mater. Adv., 2021,2, 5422-5431
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