7-hydroxy-6-[(pyrrolidin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Chemical Structure Depiction of
7-hydroxy-6-[(pyrrolidin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
7-hydroxy-6-[(pyrrolidin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one
Compound characteristics
| Compound ID: | D635-0037 |
| Compound Name: | 7-hydroxy-6-[(pyrrolidin-1-yl)methyl]-2,3-dihydrobenzo[b]cyclopenta[d]pyran-4(1H)-one |
| Molecular Weight: | 285.34 |
| Molecular Formula: | C17 H19 N O3 |
| Smiles: | C1CC2=C(C1)c1ccc(c(CN3CCCC3)c1OC2=O)O |
| Stereo: | ACHIRAL |
| logP: | 2.5434 |
| logD: | 1.2062 |
| logSw: | -2.8901 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.778 |
| InChI Key: | XCHZXOAINJSZCY-UHFFFAOYSA-N |