methyl 4-benzylidene-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 4-benzylidene-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 4-benzylidene-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 8008-5690 |
| Compound Name: | methyl 4-benzylidene-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 299.37 |
| Molecular Formula: | C18 H21 N O3 |
| Smiles: | CC(C)CN1C(C)=C(/C(=C/c2ccccc2)C1=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.4893 |
| logD: | 3.4893 |
| logSw: | -3.4962 |
| Hydrogen bond acceptors count: | 5 |
| Polar surface area: | 37.382 |
| InChI Key: | XQVDJHJHLDXYIG-UHFFFAOYSA-N |