methyl 5-benzylidene-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 5-benzylidene-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 5-benzylidene-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4191-0926 |
| Compound Name: | methyl 5-benzylidene-2-methyl-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 243.26 |
| Molecular Formula: | C14 H13 N O3 |
| Smiles: | CC1=C(C(/C(=C\c2ccccc2)N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.3665 |
| logD: | 2.2001 |
| logSw: | -2.8815 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.484 |
| InChI Key: | VUYBMTBNSHKLGG-UHFFFAOYSA-N |