4-hydroxy-3-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Chemical Structure Depiction of
4-hydroxy-3-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
4-hydroxy-3-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one
Compound characteristics
| Compound ID: | C301-3060 |
| Compound Name: | 4-hydroxy-3-[(pyrrolidin-1-yl)methyl]-2H-1-benzopyran-2-one |
| Molecular Weight: | 245.28 |
| Molecular Formula: | C14 H15 N O3 |
| Smiles: | C1CCN(C1)CC1=C(c2ccccc2OC1=O)O |
| Stereo: | ACHIRAL |
| logP: | 1.3784 |
| logD: | -1.4545 |
| logSw: | -2.3183 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.33 |
| InChI Key: | UKVSJSFNUXSVOR-UHFFFAOYSA-N |