Cas no 4295-96-9 (4,6-dimethyl-3-pentanoylpyridin-2(1H)-one)
4295-96-9 structure
Product Name:4,6-dimethyl-3-pentanoylpyridin-2(1H)-one
CAS No:4295-96-9
MF:C12H17NO2
MW:207.268883466721
CID:1515373
PubChem ID:659086
Update Time:2025-04-21
4,6-dimethyl-3-pentanoylpyridin-2(1H)-one Chemical and Physical Properties
Names and Identifiers
-
- 4,6-dimethyl-3-pentanoylpyridin-2(1H)-one
- 2(1H)-Pyridinone, 4,6-dimethyl-3-(1-oxopentyl)-
- 4,6-dimethyl-3-pentanoyl-1H-pyridin-2-one
- DTXSID20349741
- STL328195
- SMR000034278
- 4295-96-9
- 1-(2-hydroxy-4,6-dimethylpyridin-3-yl)pentan-1-one
- HMS1611G05
- AKOS001624028
- HMS2342J22
- NCGC00020922-01
- 4,6-dimethyl-3-pentanoyl-2(1H)-pyridinone
- 4,6-dimethyl-3-(1-oxopentyl)pyridin-2(1h)-one
- CHEMBL1506362
- STL590009
- MLS000079205
-
- Inchi： 1S/C12H17NO2/c1-4-5-6-10(14)11-8(2)7-9(3)13-12(11)15/h7H,4-6H2,1-3H3,(H,13,15)
- InChI Key： CDMINUMLDWBDST-UHFFFAOYSA-N
- SMILES： O=C(C1C(NC(C)=CC=1C)=O)CCCC
Computed Properties
- Exact Mass: 207.12601
- Monoisotopic Mass: 207.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 15
- Rotatable Bond Count: 4
- Complexity: 351
- 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: 1.8
- Topological Polar Surface Area: 46.2?2
Experimental Properties
- PSA: 46.17
4,6-dimethyl-3-pentanoylpyridin-2(1H)-one Related Literature
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Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Juan J. Sánchez,Miguel López-Haro,Juan C. Hernández-Garrido,Ginesa Blanco,Miguel A. Cauqui,José M. Rodríguez-Izquierdo,José A. Pérez-Omil,José J. Calvino,María P. Yeste J. Mater. Chem. A, 2019,7, 8993-9003
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Yang Chen,Di Zhou,Zheyi Meng,Jin Zhai Chem. Commun., 2016,52, 10020-10023
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Quan Xiang,Yiqin Chen,Zhiqin Li,Kaixi Bi,Guanhua Zhang,Huigao Duan Nanoscale, 2016,8, 19541-19550
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