3a,6a-dimethyl-4-(propan-2-ylidene)-3-[(pyridin-2-yl)methyl]hexahydro-2H-cyclopenta[b]furan-2-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
3a,6a-dimethyl-4-(propan-2-ylidene)-3-[(pyridin-2-yl)methyl]hexahydro-2H-cyclopenta[b]furan-2-one--hydrogen chloride (1/1)
3a,6a-dimethyl-4-(propan-2-ylidene)-3-[(pyridin-2-yl)methyl]hexahydro-2H-cyclopenta[b]furan-2-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8013-0448 |
| Compound Name: | 3a,6a-dimethyl-4-(propan-2-ylidene)-3-[(pyridin-2-yl)methyl]hexahydro-2H-cyclopenta[b]furan-2-one--hydrogen chloride (1/1) |
| Molecular Weight: | 321.85 |
| Molecular Formula: | C18 H23 N O2 |
| Salt: | HCl |
| Smiles: | CC(C)=C1CCC2(C)C1(C)C(Cc1ccccn1)C(=O)O2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.1278 |
| logD: | 3.1267 |
| logSw: | -3.1768 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 30.9604 |
| InChI Key: | LABKVGSCWMJBSU-UHFFFAOYSA-N |