Cas no 88302-01-6 (3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-5-(1-oxobutyl)-6-propyl-)
88302-01-6 structure
Product Name:3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-5-(1-oxobutyl)-6-propyl-
CAS No:88302-01-6
MF:C13H16N2O2
MW:232.278343200684
CID:638244
PubChem ID:13236510
Update Time:2025-04-19
3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-5-(1-oxobutyl)-6-propyl- Chemical and Physical Properties
Names and Identifiers
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- 3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-5-(1-oxobutyl)-6-propyl-
- 5-butanoyl-2-oxo-6-propyl-1H-pyridine-3-carbonitrile
- SCHEMBL10853063
- 5-Butanoyl-2-oxo-6-propyl-1,2-dihydropyridine-3-carbonitrile
- DTXSID90530881
- 88302-01-6
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- Inchi： 1S/C13H16N2O2/c1-3-5-11-10(12(16)6-4-2)7-9(8-14)13(17)15-11/h7H,3-6H2,1-2H3,(H,15,17)
- InChI Key： REHIUJIQVNHXPH-UHFFFAOYSA-N
- SMILES： O=C(CCC)C1C=C(C#N)C(NC=1CCC)=O
Computed Properties
- Exact Mass: 232.121177757g/mol
- Monoisotopic Mass: 232.121177757g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 17
- Rotatable Bond Count: 5
- Complexity: 449
- 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: 1.5
- Topological Polar Surface Area: 70?2
3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-5-(1-oxobutyl)-6-propyl- Related Literature
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Chao-Han Cheng,Wen-Zhen Wang,Shie-Ming Peng,I-Chia Chen Phys. Chem. Chem. Phys., 2017,19, 25471-25477
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Maomao Hou,Fenglin Zhong,Qiu Jin,Enjiang Liu,Jie Feng,Tengyun Wang,Yue Gao RSC Adv., 2017,7, 34392-34400
88302-01-6 (3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-5-(1-oxobutyl)-6-propyl-) Related Products
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