Cas no 197841-67-1 (2-Pentenamide, (2E)-)
2-Pentenamide, (2E)- structure
Product Name:2-Pentenamide, (2E)-
CAS No:197841-67-1
MF:C5H9NO
MW:99.1310613155365
CID:1388933
PubChem ID:5973527
Update Time:2025-04-20
2-Pentenamide, (2E)- Chemical and Physical Properties
Names and Identifiers
-
- 2-Pentenamide, (2E)-
- (2E)-2-PENTENAMIDE
- NSC-225028
- 15856-96-9
- (E)-pent-2-enamide
- cis-2-Pentenoic acid amide
- 6XU67S9XU2
- (2E)-PENT-2-ENAMIDE
- NSC225028
- 197841-67-1
- pentenamide
- trans-2-pentenoic acid amide
- 2-Pentenamide
- trans-2-Pentenamide
- pent-2-enamide
- MZDYAVCNKNXCIS-ONEGZZNKSA-N
-
- Inchi： 1S/C5H9NO/c1-2-3-4-5(6)7/h3-4H,2H2,1H3,(H2,6,7)/b4-3+
- InChI Key： MZDYAVCNKNXCIS-ONEGZZNKSA-N
- SMILES： O=C(/C=C/CC)N
Computed Properties
- Exact Mass: 99.06847
- Monoisotopic Mass: 99.068413911g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 7
- Rotatable Bond Count: 2
- Complexity: 86.1
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 0
- Defined Bond Stereocenter Count: 1
- Undefined Bond Stereocenter Count: 0
- XLogP3: 0.4
- Topological Polar Surface Area: 43.1?2
Experimental Properties
- PSA: 43.09
2-Pentenamide, (2E)- Related Literature
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Domenico Lombardo,Gianmarco Munaò,Pietro Calandra,Luigi Pasqua,Maria Teresa Caccamo Phys. Chem. Chem. Phys., 2019,21, 11983-11991
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Tao Wang,Yangyang Liu,Yue Deng,Hongbo Fu,Jianmin Chen Environ. Sci.: Nano, 2018,5, 1821-1833
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Aloke Das,K. K. Mahato,Chayan K. Nandi,Tapas Chakraborty,Shridhar R. Gadre,Nikhil A. Gokhale Phys. Chem. Chem. Phys., 2002,4, 2162-2168
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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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Norihito Fukui,Keisuke Fujimoto,Hideki Yorimitsu,Atsuhiro Osuka Dalton Trans., 2017,46, 13322-13341
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