methyl 2-methyl-4-oxo-5-({3-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate
Chemical Structure Depiction of
methyl 2-methyl-4-oxo-5-({3-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate
methyl 2-methyl-4-oxo-5-({3-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate
Compound characteristics
| Compound ID: | 4031-2259 |
| Compound Name: | methyl 2-methyl-4-oxo-5-({3-[(prop-2-en-1-yl)oxy]phenyl}methylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate |
| Molecular Weight: | 299.32 |
| Molecular Formula: | C17 H17 N O4 |
| Smiles: | CC1=C(C(/C(=C\c2cccc(c2)OCC=C)N1)=O)C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.87 |
| logD: | 2.7795 |
| logSw: | -3.2816 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.902 |
| InChI Key: | IJCVBDQYVXAJCC-UHFFFAOYSA-N |