Cas no 64276-60-4 (Ethanone,1-(4-ethyl-1H-pyrrol-3-yl)-)
64276-60-4 structure
Product Name:Ethanone,1-(4-ethyl-1H-pyrrol-3-yl)-
CAS No:64276-60-4
MF:C8H11NO
MW:137.179042100906
CID:499966
PubChem ID:4607318
Update Time:2025-04-19
Ethanone,1-(4-ethyl-1H-pyrrol-3-yl)- Chemical and Physical Properties
Names and Identifiers
-
- Ethanone,1-(4-ethyl-1H-pyrrol-3-yl)-
- 3-Acetyl-4-ethylpyrrole
- 1-(4-Ethyl-1H-pyrrol-3-yl)ethanone
- Ethanone, 1-(4-ethyl-1H-pyrrol-3-yl)- (9CI)
- AKOS006279227
- SCHEMBL2491846
- 64276-60-4
-
- Inchi： 1S/C8H11NO/c1-3-7-4-9-5-8(7)6(2)10/h4-5,9H,3H2,1-2H3
- InChI Key： SPRLSPZJODYRFO-UHFFFAOYSA-N
- SMILES： O=C(C)C1=CNC=C1CC
Computed Properties
- Exact Mass: 137.08413
- Monoisotopic Mass: 137.084
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 10
- Rotatable Bond Count: 2
- Complexity: 133
- 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
- Topological Polar Surface Area: 32.9A^2
- XLogP3: 1.2
Experimental Properties
- PSA: 32.86
Ethanone,1-(4-ethyl-1H-pyrrol-3-yl)- Related Literature
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Olga Guselnikova,Gérard Audran,Jean-Patrick Joly,Andrii Trelin,Evgeny V. Tretyakov,Vaclav Svorcik,Oleksiy Lyutakov,Sylvain R. A. Marque Chem. Sci., 2021,12, 4154-4161
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Zhiyan Chen,Nan Wu,Yaobing Wang,Bing Wang,Yingde Wang J. Mater. Chem. A, 2018,6, 516-526
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Qiao Song,Angela Bamesberger,Lingyun Yang,Haley Houtwed,Haishi Cao Analyst, 2014,139, 3588-3592
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Joo Chuan Yeo,Kenry Lab Chip, 2016,16, 4082-4090
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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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