6-Acetyl-2,3,4,5-tetrahydropyridine
PubChem CID: 520300
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 27300-27-2, 1-(3,4,5,6-tetrahydropyridin-2-yl)ethanone, 1-(3,4,5,6-Tetrahydro-2-pyridinyl)ethanone, 2-Acetyl-3,4,5,6-tetrahydropyridine, 6-Acetyl-2,3,4,5-tetrahydropyridine, 1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone, Ethanone,1-(3,4,5,6-tetrahydro-2-pyridinyl)-, D3A5PA4S6W, CHEBI:59533, DTXSID00865358, 1-(3,4,5,6-tetrahydropyridin-2-yl)ethan-1-one, Ethanone, 1-(3,4,5,6-tetrahydro-2-pyridinyl)-, 2-Acetyl-D1-piperideine, 2-Acetyl-D2-piperideine, UNII-D3A5PA4S6W, SCHEMBL444695, DTXCID60813774, AKOS016010696, DB-290631, 1-(1,2,3,4-Tetrahydro-2-pyridinyl)ethanone, 1-(3,4,5,6-tetrahydro-2-pyridyl)-1-ethanone, 1-(3,4,5,6-Tetrahydro-2-pyridinyl)ethanone #, Methyl 3,4,5,6-tetrahydro-2-pyridyl ketone, 8CI, Q2817903, KETONE, METHYL 3,4,5,6-TETRAHYDRO-2-PYRIDYL, 2-acetyl-3,4,5,6-tetrahydropyridine,2-acetyl-3,4,5,6-tetrahydropyridine,1-(3,4,5,6-tetrahydro-2-pyridinyl)-Ethanone |
|---|---|
| Topological Polar Surface Area | 29.4 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 9.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 149.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-(2,3,4,5-tetrahydropyridin-6-yl)ethanone |
| Prediction Hob | 1.0 |
| Xlogp | -0.1 |
| Molecular Formula | C7H11NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | GNZWXNKZMHJXNU-UHFFFAOYSA-N |
| Fcsp3 | 0.7142857142857143 |
| Logs | -1.081 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.701 |
| Compound Name | 6-Acetyl-2,3,4,5-tetrahydropyridine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 125.084 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 125.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 125.17 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -0.49966019999999994 |
| Inchi | InChI=1S/C7H11NO/c1-6(9)7-4-2-3-5-8-7/h2-5H2,1H3 |
| Smiles | CC(=O)C1=NCCCC1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cynomorium Songaricum (Plant) Rel Props:Source_db:cmaup_ingredients