Pelletierine, (+)-
PubChem CID: 10313185
Connections displayed (default: 10).
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| Compound Synonyms | (+)-Pelletierine, Pelletierine, (+)-, Pelletierine, (S)-(+)-, UNII-ES1TAU75N3, ES1TAU75N3, 2-Propanone, 1-(2S)-2-piperidinyl-, 2858-67-5, (S)-2-Acetonylpiperidin, AKOS006348100, (S)-1-(Piperidin-2-yl)propan-2-one, Q27277326 |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 1.0 |
| Iupac Name | 1-[(2S)-piperidin-2-yl]propan-2-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.4 |
| Molecular Formula | C8H15NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | JEIZLWNUBXHADF-QMMMGPOBSA-N |
| Fcsp3 | 0.875 |
| Logs | 0.347 |
| Rotatable Bond Count | 2.0 |
| Logd | 0.226 |
| Compound Name | Pelletierine, (+)- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 141.115 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 141.115 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 141.21 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.8103267999999999 |
| Inchi | InChI=1S/C8H15NO/c1-7(10)6-8-4-2-3-5-9-8/h8-9H,2-6H2,1H3/t8-/m0/s1 |
| Smiles | CC(=O)C[C@@H]1CCCCN1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Chaenomeles Speciosa (Plant) Rel Props:Source_db:cmaup_ingredients - 2. Outgoing r'ship
FOUND_INto/from Punica Granatum (Plant) Rel Props:Source_db:cmaup_ingredients - 3. Outgoing r'ship
FOUND_INto/from Sedum Acre (Plant) Rel Props:Source_db:cmaup_ingredients - 4. Outgoing r'ship
FOUND_INto/from Solanum Aviculare (Plant) Rel Props:Source_db:cmaup_ingredients - 5. Outgoing r'ship
FOUND_INto/from Withania Somnifera (Plant) Rel Props:Source_db:cmaup_ingredients