Cas no 409335-81-5 (1H-Pyrrole-2,5-dione,3-ethyl-1-methyl-(9CI))
409335-81-5 structure
Product Name:1H-Pyrrole-2,5-dione,3-ethyl-1-methyl-(9CI)
CAS No:409335-81-5
MF:C7H9NO2
MW:139.151861906052
CID:1017772
PubChem ID:45087813
Update Time:2025-04-20
1H-Pyrrole-2,5-dione,3-ethyl-1-methyl-(9CI) Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2,5-dione,3-ethyl-1-methyl-(9CI)
- SCHEMBL14314260
- 409335-81-5
- DB-279788
- 3-Ethyl-1-methyl-1H-pyrrole-2,5-dione
-
- Inchi： 1S/C7H9NO2/c1-3-5-4-6(9)8(2)7(5)10/h4H,3H2,1-2H3
- InChI Key： VNICJXCATREWMV-UHFFFAOYSA-N
- SMILES： O=C1C(=CC(N1C)=O)CC
Computed Properties
- Exact Mass: 139.063328530g/mol
- Monoisotopic Mass: 139.063328530g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 10
- Rotatable Bond Count: 1
- Complexity: 218
- 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: 0.3
- Topological Polar Surface Area: 37.4?2
1H-Pyrrole-2,5-dione,3-ethyl-1-methyl-(9CI) Related Literature
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Xue-Ying Wang,Ying Pei,Min Xie,Zi-He Jin,Ya-Shi Xiao,Yang Wang,Li-Na Zhang,Yan Li,Wei-Hua Huang Lab Chip, 2015,15, 1178-1187
-
Yang Xu,Min Wang,Donghui Wei,Rongqiang Tian,Zheng Duan,Fran?ois Mathey Dalton Trans., 2019,48, 5523-5526
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Yuan-Jun Tong,Lu-Dan Yu,Lu-Lu Wu,Shu-Ping Cao,Ru-Ping Liang,Li Zhang,Xing-Hua Xia,Jian-Ding Qiu Chem. Commun., 2018,54, 7487-7490
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P. K. Wawrzyniak,M. T. P. Beerepoot,H. J. M. de Groot,F. Buda Phys. Chem. Chem. Phys., 2011,13, 10270-10279
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