Cas no 51895-49-9 (2,5-Pyrrolidinedione, 3-(1-hydroxyethyl)-3-methyl-)
51895-49-9 structure
Product Name:2,5-Pyrrolidinedione, 3-(1-hydroxyethyl)-3-methyl-
CAS No:51895-49-9
MF:C7H11NO3
MW:157.167142152786
CID:361155
PubChem ID:54520268
Update Time:2025-04-19
2,5-Pyrrolidinedione, 3-(1-hydroxyethyl)-3-methyl- Chemical and Physical Properties
Names and Identifiers
-
- 2,5-Pyrrolidinedione, 3-(1-hydroxyethyl)-3-methyl-
- 3-(1-hydroxyethyl)-3-methylpyrrolidine-2,5-dione
- 2-(1-hydroxyethyl)-2-methylsuccinimide
- DTXSID10711918
- Ethosuximide metabolite II (2-(1-hydroxyethyl)-2-methylsuccinimide)
- CHEMBL3544835
- 51895-49-9
- NS00116885
-
- Inchi： 1S/C7H11NO3/c1-4(9)7(2)3-5(10)8-6(7)11/h4,9H,3H2,1-2H3,(H,8,10,11)
- InChI Key： YPHULFCUFXXVGD-UHFFFAOYSA-N
- SMILES： OC(C)C1(C)C(NC(C1)=O)=O
Computed Properties
- Exact Mass: 157.07393
- Monoisotopic Mass: 157.07389321g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 11
- Rotatable Bond Count: 1
- Complexity: 214
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: -0.3
- Topological Polar Surface Area: 66.4?2
Experimental Properties
- PSA: 66.4
2,5-Pyrrolidinedione, 3-(1-hydroxyethyl)-3-methyl- Related Literature
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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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Huabin Zhang,Shaowu Du CrystEngComm, 2014,16, 4059-4068
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Xin Li,Liangliang Zhu,Sai Duan,Yanli Zhao,Hans ?gren Phys. Chem. Chem. Phys., 2014,16, 23854-23860
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Karl Crowley,Eimer O'Malley,Aoife Morrin,Malcolm R. Smyth,Anthony J. Killard Analyst, 2008,133, 391-399
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Haitao Li,Yu Pan,Zhizhi Wang,Shan Chen,Ruixin Guo,Jianqiu Chen RSC Adv., 2015,5, 100775-100782
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