Cas no 42953-82-2 (5,5-dimethylpyrazolidin-3-one)
5,5-dimethylpyrazolidin-3-one structure
Product Name:5,5-dimethylpyrazolidin-3-one
CAS No:42953-82-2
MF:C5H10N2O
MW:114.145700931549
CID:2124637
PubChem ID:11116026
Update Time:2025-04-21
5,5-dimethylpyrazolidin-3-one Chemical and Physical Properties
Names and Identifiers
-
- 5,5-dimethylpyrazolidin-3-one
- BEUWBSAVSYYTEI-UHFFFAOYSA-N
- DB-340603
- DTXCID30406470
- AKOS015995837
- SCHEMBL2169611
- DTXSID40455651
- 42953-82-2
- 5,5-dimethyl-pyrazolidin-3-one
-
- Inchi： 1S/C5H10N2O/c1-5(2)3-4(8)6-7-5/h7H,3H2,1-2H3,(H,6,8)
- InChI Key： BEUWBSAVSYYTEI-UHFFFAOYSA-N
- SMILES： O=C1CC(C)(C)NN1
Computed Properties
- Exact Mass: 114.079312947Da
- Monoisotopic Mass: 114.079312947Da
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 2
- Hydrogen Bond Acceptor Count: 3
- Heavy Atom Count: 8
- Rotatable Bond Count: 0
- Complexity: 120
- 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: 41.1?2
5,5-dimethylpyrazolidin-3-one Related Literature
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Guang Xu,Wei Zhang,Ying Zhang,Xiaoxia Zhao,Ping Wen,Di Ma RSC Adv., 2018,8, 19353-19361
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Weili Dai,Guangjun Wu,Michael Hunger Chem. Commun., 2015,51, 13779-13782
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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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Saeideh Mirfakhraei,Malak Hekmati,Fereshteh Hosseini Eshbala,Hojat Veisi New J. Chem., 2018,42, 1757-1761
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Amit Kumar Majhi,Subbarao Kanchi,V. Venkataraman,K. G. Ayappa,Prabal K. Maiti Soft Matter, 2015,11, 8632-8640
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