4-Methyl-1H-indeno[1,2-b]pyridine-2,5-dione
PubChem CID: 457731
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| Compound Synonyms | 4-Methyl-1H-indeno[1,2-b]pyridine-2,5-dione |
|---|---|
| Topological Polar Surface Area | 46.2 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 16.0 |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 445.0 |
| Database Name | cmaup_ingredients;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4-methyl-1H-indeno[1,2-b]pyridine-2,5-dione |
| Prediction Hob | 1.0 |
| Xlogp | 1.0 |
| Molecular Formula | C13H9NO2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | WMXQHGKTLWYTGW-UHFFFAOYSA-N |
| Fcsp3 | 0.0769230769230769 |
| Logs | -4.1 |
| Rotatable Bond Count | 0.0 |
| Logd | 1.945 |
| Compound Name | 4-Methyl-1H-indeno[1,2-b]pyridine-2,5-dione |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 211.063 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 211.063 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 211.22 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -3.1976639999999996 |
| Inchi | InChI=1S/C13H9NO2/c1-7-6-10(15)14-12-8-4-2-3-5-9(8)13(16)11(7)12/h2-6H,1H3,(H,14,15) |
| Smiles | CC1=CC(=O)NC2=C1C(=O)C3=CC=CC=C32 |
| 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