Cas no 64330-44-5 (2H-Pyrrol-2-one,1,5-dihydro-1-(1-methylethyl)-)
64330-44-5 structure
Product Name:2H-Pyrrol-2-one,1,5-dihydro-1-(1-methylethyl)-
CAS No:64330-44-5
MF:C7H11NO
MW:125.168341875076
CID:499944
PubChem ID:12365107
Update Time:2025-04-19
2H-Pyrrol-2-one,1,5-dihydro-1-(1-methylethyl)- Chemical and Physical Properties
Names and Identifiers
-
- 2H-Pyrrol-2-one,1,5-dihydro-1-(1-methylethyl)-
- 2H-Pyrrol-2-one,1,5-dihydro-1-(1-methylethyl)-(9CI)
- SCHEMBL7906023
- 64330-44-5
- 1-Isopropyl-1H-pyrrol-2(5H)-one
-
- Inchi： 1S/C7H11NO/c1-6(2)8-5-3-4-7(8)9/h3-4,6H,5H2,1-2H3
- InChI Key： ICEWACHGGQESMP-UHFFFAOYSA-N
- SMILES： O=C1C=CCN1C(C)C
Computed Properties
- Exact Mass: 125.08413
- Monoisotopic Mass: 125.084063974g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 9
- Rotatable Bond Count: 1
- Complexity: 149
- 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: 0.6
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
2H-Pyrrol-2-one,1,5-dihydro-1-(1-methylethyl)- Related Literature
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Kay S. McMillan,Anthony G. McCluskey,Annette Sorensen,Marie Boyd,Michele Zagnoni Analyst, 2016,141, 100-110
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Christopher B. Rodell,Christopher B. Highley,Minna H. Chen,Neville N. Dusaj,Chao Wang,Lin Han,Jason A. Burdick Soft Matter, 2016,12, 7839-7847
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
64330-44-5 (2H-Pyrrol-2-one,1,5-dihydro-1-(1-methylethyl)-) Related Products
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