5H-Indeno[1,2-b]pyridin-5-one, 8-methoxy-4-methyl-
PubChem CID: 457723
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| Compound Synonyms | 6-Methoxyonychine, 105418-67-5, 5H-Indeno[1,2-b]pyridin-5-one, 8-methoxy-4-methyl-, DTXSID10332460, 8-methoxy-4-methyl-indeno[1,2-b]pyridin-5-one |
|---|---|
| Topological Polar Surface Area | 39.2 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 17.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 317.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 8-methoxy-4-methylindeno[1,2-b]pyridin-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.4 |
| Molecular Formula | C14H11NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | FXQOMUALCSLULJ-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -4.283 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.336 |
| Compound Name | 5H-Indeno[1,2-b]pyridin-5-one, 8-methoxy-4-methyl- |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 225.079 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 225.079 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 225.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1796843411764706 |
| Inchi | InChI=1S/C14H11NO2/c1-8-5-6-15-13-11-7-9(17-2)3-4-10(11)14(16)12(8)13/h3-7H,1-2H3 |
| Smiles | CC1=C2C(=NC=C1)C3=C(C2=O)C=CC(=C3)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Cucurbita Pepo (Plant) Rel Props:Source_db:cmaup_ingredients