Cas no 13918-01-9 (3-Pyrrolidinone, 1-ethyl-2,2-dimethyl-5-phenyl-)
13918-01-9 structure
Product Name:3-Pyrrolidinone, 1-ethyl-2,2-dimethyl-5-phenyl-
CAS No:13918-01-9
MF:C14H19NO
MW:217.306763887405
CID:1262281
PubChem ID:71354410
Update Time:2025-04-20
3-Pyrrolidinone, 1-ethyl-2,2-dimethyl-5-phenyl- Chemical and Physical Properties
Names and Identifiers
-
- 3-Pyrrolidinone, 1-ethyl-2,2-dimethyl-5-phenyl-
- 1-ethyl-2,2-dimethyl-5-phenylpyrrolidin-3-one
- DTXSID70778966
- 13918-01-9
-
- Inchi： 1S/C14H19NO/c1-4-15-12(10-13(16)14(15,2)3)11-8-6-5-7-9-11/h5-9,12H,4,10H2,1-3H3
- InChI Key： JPEKEYMPSJAWTK-UHFFFAOYSA-N
- SMILES： O=C1CC(C2C=CC=CC=2)N(CC)C1(C)C
Computed Properties
- Exact Mass: 217.14677
- Monoisotopic Mass: 217.146664230g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 2
- Heavy Atom Count: 16
- Rotatable Bond Count: 2
- Complexity: 266
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 1
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 2.3
- Topological Polar Surface Area: 20.3?2
Experimental Properties
- PSA: 20.31
3-Pyrrolidinone, 1-ethyl-2,2-dimethyl-5-phenyl- Related Literature
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Zhixia Liu,Tingjian Chen,Floyd E. Romesberg Chem. Sci., 2017,8, 8179-8182
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Ji-Ping Wei Nanoscale, 2015,7, 11815-11832
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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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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Bin Han,Yasuo Shimizu,Gabriele Seguini,Celia Castro,Gérard Ben Assayag,Koji Inoue,Yasuyoshi Nagai,Sylvie Schamm-Chardon,Michele Perego RSC Adv., 2016,6, 3617-3622
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