Cas no 211682-21-2 ((3S)-1,3-dimethyl-2,5-Pyrrolidinedione)
211682-21-2 structure
Product Name:(3S)-1,3-dimethyl-2,5-Pyrrolidinedione
CAS No:211682-21-2
MF:C6H9NO2
MW:127.141161680222
CID:911232
PubChem ID:12991007
Update Time:2025-04-19
(3S)-1,3-dimethyl-2,5-Pyrrolidinedione Chemical and Physical Properties
Names and Identifiers
-
- (3S)-1,3-dimethyl-2,5-Pyrrolidinedione
- (3S)-1,3-dimethylpyrrolidine-2,5-dione
- 2,5-Pyrrolidinedione,1,3-dimethyl-,(3S)-(9CI)
- (3S)-1,3-dimethyl-2,5-pyrrolidindione
- 2,5-Pyrrolidinedione, 1,3-dimethyl-, (3S)-
- AG-E-55284
- CTK0J7925
- SureCN4181392
- 211682-21-2
- SCHEMBL4181392
- NIXKACOKLPRDMY-BYPYZUCNSA-N
-
- Inchi： 1S/C6H9NO2/c1-4-3-5(8)7(2)6(4)9/h4H,3H2,1-2H3/t4-/m0/s1
- InChI Key： NIXKACOKLPRDMY-BYPYZUCNSA-N
- SMILES： O=C1[C@@H](C)CC(N1C)=O
Computed Properties
- Exact Mass: 127.06300
- Monoisotopic Mass: 127.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 9
- Rotatable Bond Count: 0
- Complexity: 164
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 1
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.3
- Topological Polar Surface Area: 37.4?2
Experimental Properties
- PSA: 37.38000
- LogP: -0.05090
(3S)-1,3-dimethyl-2,5-Pyrrolidinedione Related Literature
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Xing Zhao,Lu Bai,Rui-Ying Bao,Zheng-Ying Liu,Ming-Bo Yang,Wei Yang RSC Adv., 2017,7, 46297-46305
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Shintaro Takata,Yoshihiro Miura Phys. Chem. Chem. Phys., 2014,16, 24784-24789
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Gang Pan,Yi-jie Bao,Jie Xu,Tao Liu,Cheng Liu,Yan-yan Qiu,Xiao-jing Shi,Hui Yu,Ting-ting Jia,Xia Yuan,Ze-ting Yuan,Yi-jun Cao RSC Adv., 2016,6, 42109-42119
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Zhizhen Lai,Mo Zhang,Jinyu Zhou,Tianjing Chen,Dan Li,Xuejing Shen,Jia Liu,Jiang Zhou,Zhili Li Analyst, 2021,146, 4261-4267
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
211682-21-2 ((3S)-1,3-dimethyl-2,5-Pyrrolidinedione) Related Products
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