3-(3,4-dihydroxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
Chemical Structure Depiction of
3-(3,4-dihydroxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
3-(3,4-dihydroxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile
Compound characteristics
| Compound ID: | 8015-4242 |
| Compound Name: | 3-(3,4-dihydroxyphenyl)-2-(pyrrolidine-1-carbonyl)prop-2-enenitrile |
| Molecular Weight: | 258.27 |
| Molecular Formula: | C14 H14 N2 O3 |
| Smiles: | C1CCN(C1)C(C(=C\c1ccc(c(c1)O)O)\C#N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.3427 |
| logD: | 1.3263 |
| logSw: | -1.6723 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.405 |
| InChI Key: | XMEINYDBLLFDFC-UHFFFAOYSA-N |