8-Methoxy-4-methyl-1H-indeno(1,2-b)pyridine-5,9-dione
PubChem CID: 183441
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| Compound Synonyms | 112368-57-7, 5-hydroxy-6-methoxyonychine, 8-Methoxy-4-methyl-1H-indeno(1,2-b)pyridine-5,9-dione, 9-hydroxy-8-methoxy-4-methylindeno[1,2-b]pyridin-5-one, Isoursuline, 9-Hydroxy-8-methoxy-4-methyl-5H-indeno[1,2-b]pyridin-5-one, Oxylopine, 8-METHOXY-4-METHYL-1H-INDENO[1,2-B]PYRIDINE-5,9-DIONE, CHEMBL487389, SCHEMBL8833168, DTXSID90920743, 5H-Indeno(1,2-b)pyridin-5-one, 9-hydroxy-8-methoxy-4-methyl- |
|---|---|
| Topological Polar Surface Area | 59.4 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 18.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 346.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 9-hydroxy-8-methoxy-4-methylindeno[1,2-b]pyridin-5-one |
| Prediction Hob | 1.0 |
| Xlogp | 2.0 |
| Molecular Formula | C14H11NO3 |
| Prediction Swissadme | 0.0 |
| Inchi Key | ZHJQMWOBQVMZLS-UHFFFAOYSA-N |
| Fcsp3 | 0.1428571428571428 |
| Logs | -4.046 |
| Rotatable Bond Count | 1.0 |
| Logd | 2.043 |
| Compound Name | 8-Methoxy-4-methyl-1H-indeno(1,2-b)pyridine-5,9-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 241.074 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 241.074 |
| Hydrogen Bond Acceptor Count | 4.0 |
| Molecular Weight | 241.24 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.0293585333333333 |
| Inchi | InChI=1S/C14H11NO3/c1-7-5-6-15-12-10(7)13(16)8-3-4-9(18-2)14(17)11(8)12/h3-6,17H,1-2H3 |
| Smiles | CC1=C2C(=NC=C1)C3=C(C2=O)C=CC(=C3O)OC |
| Nring | 3.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Mitrephora Diversifolia (Plant) Rel Props:Source_db:cmaup_ingredients