3-(3-nitrophenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
Chemical Structure Depiction of
3-(3-nitrophenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
3-(3-nitrophenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one
Compound characteristics
| Compound ID: | Y032-0964 |
| Compound Name: | 3-(3-nitrophenyl)-1-(pyrrolidin-1-yl)prop-2-en-1-one |
| Molecular Weight: | 246.26 |
| Molecular Formula: | C13 H14 N2 O3 |
| Smiles: | C1CCN(C1)C(/C=C/c1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.499 |
| logD: | 2.499 |
| logSw: | -2.6916 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.107 |
| InChI Key: | PNYIMHVLTKZLCN-UHFFFAOYSA-N |