4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine
PubChem CID: 3530562
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| Compound Synonyms | (S)-Actinidine, Aktinidin, 4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine, SCHEMBL21803725, CHEBI:230732, 4,7-dimethyl-6,7-dihydro-5H-[2]pyrindine, 6,7-Dihydro-4,7-dimethyl-(S)-5H-2-Pyrindine |
|---|---|
| Topological Polar Surface Area | 12.9 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 11.0 |
| Description | Alkaloid from Actinidia arguta (taravine) and Valeriana officinalis (valerian). (S)-Actinidine is found in many foods, some of which are kiwi, fruits, herbs and spices, and fats and oils. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 144.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;hmdb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine |
| Prediction Hob | 1.0 |
| Class | Pyridines and derivatives |
| Xlogp | 2.4 |
| Superclass | Organoheterocyclic compounds |
| Subclass | Methylpyridines |
| Molecular Formula | C10H13N |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZHQQRIUYLMXDPP-UHFFFAOYSA-N |
| Fcsp3 | 0.5 |
| Rotatable Bond Count | 0.0 |
| Synonyms | (7S)-4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine, 5H-2-Pyrindine, 6,7-dihydro-4,7-dimethyl-, (S)-, 6,7-dihydro-4,7-Dimethyl-(S)-5H-2-pyrindine, Actinidine, (7S)-4,7-Dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine, Actinidine hydrochloride, (+)-(R)-isomer |
| Compound Name | 4,7-dimethyl-6,7-dihydro-5H-cyclopenta[c]pyridine |
| Kingdom | Organic compounds |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 147.105 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 147.105 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 147.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 1.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Esol | -2.6558065636363635 |
| Inchi | InChI=1S/C10H13N/c1-7-3-4-9-8(2)5-11-6-10(7)9/h5-7H,3-4H2,1-2H3 |
| Smiles | CC1CCC2=C1C=NC=C2C |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Methylpyridines |
- 1. Outgoing r'ship
FOUND_INto/from Actinidia Arguta (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Actinidia Chinensis (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Actinidia Polygama (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 4. Outgoing r'ship
FOUND_INto/from Tecoma Stans (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 5. Outgoing r'ship
FOUND_INto/from Valeriana Officinalis (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all