4,6,6-Trimethyl-5,6-dihydropyridin-2(1H)-one
PubChem CID: 15357510
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 4,6,6-Trimethyl-5,6-dihydropyridin-2(1H)-one, 18938-02-8, DTXSID60571948, CHEMBL4177220, DTXCID30522720, 4,6,6-trimethyl-5,6-dihydro-2-pyridone |
|---|---|
| Topological Polar Surface Area | 29.1 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 10.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 191.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2,2,4-trimethyl-1,3-dihydropyridin-6-one |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C8H13NO |
| Prediction Swissadme | 0.0 |
| Inchi Key | BTFPEDCOAZXSCZ-UHFFFAOYSA-N |
| Fcsp3 | 0.625 |
| Logs | -0.435 |
| Rotatable Bond Count | 0.0 |
| Logd | 0.794 |
| Compound Name | 4,6,6-Trimethyl-5,6-dihydropyridin-2(1H)-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 139.1 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 139.1 |
| Hydrogen Bond Acceptor Count | 1.0 |
| Molecular Weight | 139.19 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.1881276 |
| Inchi | InChI=1S/C8H13NO/c1-6-4-7(10)9-8(2,3)5-6/h4H,5H2,1-3H3,(H,9,10) |
| Smiles | CC1=CC(=O)NC(C1)(C)C |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Anacyclus Pyrethrum (Plant) Rel Props:Source_db:cmaup_ingredients