4-Methylindeno[1,2-b]pyridin-5-one
PubChem CID: 72584
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| Compound Synonyms | Onychine, 58787-04-5, 4-methylindeno[1,2-b]pyridin-5-one, 1-methyl-4-azafluoren-9-one, Onychin, 5H-Indeno(1,2-b)pyridin-5-one, 4-methyl-, 5H-Indeno[1,2-b]pyridin-5-one, 4-methyl-, 4-Methyl-5H-indeno[1,2-b]pyridin-5-one, 1-Methyl-4-azafluorenone, CHEMBL181614, SCHEMBL8548579, DTXSID80207515, 4-Methyl-indeno[1,2-b]pyridin-5-one, 4-Methyl-5H-indeno[3,2-b]pyridin-5-one, DB-238283, 4-methyl-5H-indeno[3,2-b]-pyridin-5-one, 4-Methyl-5H-indeno[1,2-b]pyridin-5-one #, InChI=1/C13H9NO/c1-8-6-7-14-12-9-4-2-3-5-10(9)13(15)11(8)12/h2-7H,1H |
|---|---|
| Ghose Rule | True |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 30.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1C2CCCCC2C2CCCCC12 |
| Np Classifier Class | Anthraquinones and anthrones |
| Deep Smiles | Ccccnc-ccC=O)c95))cccc6 |
| Heavy Atom Count | 15.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | OC1C2CCCCC2C2NCCCC12 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 276.0 |
| Database Name | cmaup_ingredients;imppat_phytochem;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Uniprot Id | n.a. |
| Iupac Name | 4-methylindeno[1,2-b]pyridin-5-one |
| Prediction Hob | 1.0 |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 2.4 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C13H9NO |
| Scaffold Graph Node Bond Level | O=C1c2ccccc2-c2ncccc21 |
| Prediction Swissadme | 0.0 |
| Inchi Key | LTVBTVOAUQJJEV-UHFFFAOYSA-N |
| Silicos It Class | Moderately soluble |
| Fcsp3 | 0.0769230769230769 |
| Logs | -3.845 |
| Rotatable Bond Count | 0.0 |
| Logd | 2.179 |
| Synonyms | onychin, onychine |
| Esol Class | Soluble |
| Functional Groups | cC(c)=O, cnc |
| Compound Name | 4-Methylindeno[1,2-b]pyridin-5-one |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 195.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 195.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 195.22 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Esol | -3.1480702000000003 |
| Inchi | InChI=1S/C13H9NO/c1-8-6-7-14-12-9-4-2-3-5-10(9)13(15)11(8)12/h2-7H,1H3 |
| Smiles | CC1=C2C(=NC=C1)C3=CC=CC=C3C2=O |
| Nring | 3.0 |
| Np Classifier Biosynthetic Pathway | Polyketides |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Polycyclic aromatic polyketides |
- 1. Outgoing r'ship
FOUND_INto/from Cibotium Barometz (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 2. Outgoing r'ship
FOUND_INto/from Cucurbita Pepo (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all - 3. Outgoing r'ship
FOUND_INto/from Onychium Japonicum (Plant) Rel Props:Reference:ISBN:9788185042145 - 4. Outgoing r'ship
FOUND_INto/from Polyalthia Longifolia (Plant) Rel Props:Reference:ISBN:9788185042145