| Weight | 167.208 g/mol |
|---|---|
| Formula | C9H13NO2 |
| Hydrogen Acceptors | 2 |
| Hydrogen Donors | 1 |
| Aromatic Rings | 1 |
| Rotatable Bonds | 2 |
ethyl 2,5-dimethyl-1H-pyrrole-3-carboxylate (2199-52-2)
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- A combined experimental and quantum chemical (DFT and AIM) study on molecular structure, spectroscopic properties, NBO and multiple interaction analysis in a novel ethyl 4-[2-(carbamoyl)hydrazinylidene]-3,5-dimethyl-1H-pyrrole-2-carboxylate and its dimer (Journal of Molecular Structure, 2013)
- Molecular structure, heteronuclear resonance assisted hydrogen bond analysis, chemical reactivity and first hyperpolarizability of a novel ethyl-4-{((2,4- dinitrophenyl)-hydrazono)-ethyl}-3,5-dimethyl-1H-pyrrole-2-carboxylate: A combined DFT and AIM approach (Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2012)
- Molecular structure, spectral studies, intra and intermolecular interactions analyses in a novel ethyl 4-(3-(2-chloro-phenyl)-acryloyl)-3,5-dimethyl-1H-pyrrole-2-carboxylate and its dimer: A combined DFT and AIM approach (Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2012)
- Spectral analysis, structural elucidation, and evaluation of both nonlinear optical properties and chemical reactivity of a newly synthesized ethyl-3,5-dimethyl-4-[(toluenesulfonyl)-hydrazonomethyl]-1H-pyrrole-2-carboxylate through experimental studies and quantum chemical calculations (Journal of Molecular Structure, 2013)
- Spectral analysis, structural elucidation and evaluation of chemical reactivity of synthesized ethyl-4-[(2-cyano-acetyl)-hydrazonomethyl]-3,5-dimethyl-1H-pyrrole-2-carboxylate through experimental studies and quantum chemical calculations (Journal of Molecular Structure, 2014)
- A combined experimental and theoretical (DFT and AIM) studies on synthesis, molecular structure, spectroscopic properties and multiple interactions analysis in a novel Ethyl-4-[2-(thiocarbamoyl)hydrazinylidene]-3,5-dimethyl-1H-pyrrole-2-carboxylate and its dimer (Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy, 2013)
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SMILESCCOC(=O)C1=C(NC(=C1)C)C
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