(8R)-2,5-dimethyl-8-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine
PubChem CID: 5317082
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | Epiguaipyridine, CHEBI:229111, (8R)-2,5-dimethyl-8-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine |
|---|---|
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 258.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | (8R)-2,5-dimethyl-8-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine |
| Prediction Hob | 0.0 |
| Xlogp | 4.5 |
| Molecular Formula | C15H21N |
| Prediction Swissadme | 0.0 |
| Inchi Key | RVJOTNIWFWVNRS-GLGOKHISSA-N |
| Fcsp3 | 0.5333333333333333 |
| Logs | -4.2 |
| Rotatable Bond Count | 1.0 |
| Logd | 3.869 |
| Compound Name | (8R)-2,5-dimethyl-8-prop-1-en-2-yl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 215.167 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 215.167 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 215.33 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 2.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -4.234208 |
| Inchi | InChI=1S/C15H21N/c1-10(2)13-7-5-11(3)14-8-6-12(4)16-15(14)9-13/h6,8,11,13H,1,5,7,9H2,2-4H3/t11?,13-/m1/s1 |
| Smiles | CC1CC[C@H](CC2=C1C=CC(=N2)C)C(=C)C |
| Nring | 2.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Pogostemon Cablin (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Schisandra Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients