[(4R,4aR,7R,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol
PubChem CID: 10261788
Connections displayed (default: 10).
Loading graph...
| Topological Polar Surface Area | 23.5 |
|---|---|
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 13.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 183.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 4.0 |
| Iupac Name | [(4R,4aR,7R,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol |
| Prediction Hob | 1.0 |
| Xlogp | 1.8 |
| Molecular Formula | C11H21NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | CRVXJVHSLVEDRI-ZNSHCXBVSA-N |
| Fcsp3 | 1.0 |
| Logs | -1.052 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.16 |
| Compound Name | [(4R,4aR,7R,7aS)-2,7-dimethyl-1,3,4,4a,5,6,7,7a-octahydrocyclopenta[c]pyridin-4-yl]methanol |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 183.162 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 183.162 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 183.29 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 4.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -2.031829 |
| Inchi | InChI=1S/C11H21NO/c1-8-3-4-10-9(7-13)5-12(2)6-11(8)10/h8-11,13H,3-7H2,1-2H3/t8-,9-,10+,11+/m1/s1 |
| Smiles | C[C@@H]1CC[C@@H]2[C@H]1CN(C[C@@H]2CO)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Tecoma Stans (Plant) Rel Props:Source_db:cmaup_ingredients