Cas no 97336-42-0 (1H-Pyrrole-2-carboxaldehyde,3-ethyl-4,5-dimethyl-)
97336-42-0 structure
Product Name:1H-Pyrrole-2-carboxaldehyde,3-ethyl-4,5-dimethyl-
CAS No:97336-42-0
MF:C9H13NO
MW:151.205622434616
CID:800998
PubChem ID:14409193
Update Time:2025-04-19
1H-Pyrrole-2-carboxaldehyde,3-ethyl-4,5-dimethyl- Chemical and Physical Properties
Names and Identifiers
-
- 1H-Pyrrole-2-carboxaldehyde,3-ethyl-4,5-dimethyl-
- 1H-Pyrrole-2-carboxaldehyde, 3-ethyl-4,5-dimethyl- (9CI)
- SCHEMBL14543745
- 3-Ethyl-4,5-dimethyl-1H-pyrrole-2-carbaldehyde
- 3-Ethyl-4,5-dimethyl-1H-pyrrole-2-carboxaldehyde
- 97336-42-0
- DTXSID801235614
-
- Inchi： 1S/C9H13NO/c1-4-8-6(2)7(3)10-9(8)5-11/h5,10H,4H2,1-3H3
- InChI Key： INRLLMQZKREWLK-UHFFFAOYSA-N
- SMILES： O=CC1=C(CC)C(C)=C(C)N1
Computed Properties
- Exact Mass: 151.099714038g/mol
- Monoisotopic Mass: 151.099714038g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 1
- Hydrogen Bond Acceptor Count: 1
- Heavy Atom Count: 11
- Rotatable Bond Count: 2
- Complexity: 147
- 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: 2.1
- Topological Polar Surface Area: 32.9?2
1H-Pyrrole-2-carboxaldehyde,3-ethyl-4,5-dimethyl- Related Literature
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Thi Thu Tram Nguyen,Thanh Binh Nguyen Org. Biomol. Chem., 2021,19, 6015-6020
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Christopher J. Harrison,Kyle J. Berean,Enrico Della Gaspera,Jian Zhen Ou,Richard B. Kaner,Kourosh Kalantar-zadeh,Torben Daeneke Nanoscale, 2016,8, 16276-16283
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Dhirendra K. Chaudhary,Pramendra Kumar,Lokendra Kumar RSC Adv., 2016,6, 94731-94738
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