Cas no 919118-55-1 (4-Piperidinone, 1-(3-methyl-1-oxobutyl)-)
919118-55-1 structure
Product Name:4-Piperidinone, 1-(3-methyl-1-oxobutyl)-
CAS No:919118-55-1
MF:C10H17NO2
MW:183.24748301506
CID:765615
PubChem ID:24701518
Update Time:2025-04-19
4-Piperidinone, 1-(3-methyl-1-oxobutyl)- Chemical and Physical Properties
Names and Identifiers
-
- 4-Piperidinone, 1-(3-methyl-1-oxobutyl)-
- 1-(3-methylbutanoyl)piperidin-4-one
- 1-(3-Methylbutyryl)piperidin-4-one
- DTXSID90640858
- 919118-55-1
- AKOS000184651
- SCHEMBL643156
- ASFUVWVBSJTGKJ-UHFFFAOYSA-N
-
- Inchi: 1S/C10H17NO2/c1-8(2)7-10(13)11-5-3-9(12)4-6-11/h8H,3-7H2,1-2H3
- InChI Key: ASFUVWVBSJTGKJ-UHFFFAOYSA-N
- SMILES: O=C(CC(C)C)N1CCC(CC1)=O
Computed Properties
- Exact Mass: 183.125928785g/mol
- Monoisotopic Mass: 183.125928785g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 13
- Rotatable Bond Count: 2
- Complexity: 201
- 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: 0.4
- Topological Polar Surface Area: 37.4?2
4-Piperidinone, 1-(3-methyl-1-oxobutyl)- Related Literature
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Xingqun Zheng,Lele Song,Xin Feng,Li Li,Zidong Wei J. Mater. Chem. A, 2020,8, 14145-14151
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Xu Jie,Deng Xu,Weili Wei RSC Adv., 2019,9, 29149-29153
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Shaun D. Wong,Edward I. Solomon Dalton Trans., 2014,43, 17567-17577
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Erika A. Cobar,Paul R. Horn,Robert G. Bergman,Martin Head-Gordon Phys. Chem. Chem. Phys., 2012,14, 15328-15339
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
919118-55-1 (4-Piperidinone, 1-(3-methyl-1-oxobutyl)-) Related Products
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- 1270529-38-8(1,2,3,4,5,6-Hexahydro-[2,3]bipyridinyl-6-ol)
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