4-[2-cyano-3-oxo-3-(pyrrolidin-1-yl)prop-1-en-1-yl]benzoic acid
Chemical Structure Depiction of
4-[2-cyano-3-oxo-3-(pyrrolidin-1-yl)prop-1-en-1-yl]benzoic acid
4-[2-cyano-3-oxo-3-(pyrrolidin-1-yl)prop-1-en-1-yl]benzoic acid
Compound characteristics
| Compound ID: | 8015-4243 |
| Compound Name: | 4-[2-cyano-3-oxo-3-(pyrrolidin-1-yl)prop-1-en-1-yl]benzoic acid |
| Molecular Weight: | 270.29 |
| Molecular Formula: | C15 H14 N2 O3 |
| Smiles: | C1CCN(C1)C(C(=C\c1ccc(cc1)C(O)=O)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3014 |
| logD: | -1.3054 |
| logSw: | -2.5592 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.717 |
| InChI Key: | SUJRBKKLLKWULT-UHFFFAOYSA-N |