1,2-Dihydro-1-methyl-2-oxo-3-pyridinecarbonitrile
PubChem CID: 303840
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| Compound Synonyms | 767-88-4, 1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, 1-methyl-2-oxopyridine-3-carbonitrile, 1-Methyl-3-cyanopyridine-2(1H)-one, 1,2-Dihydro-1-methyl-2-oxo-3-pyridinecarbonitrile, Ricinidine, N-Methyl-3-cyanopyridone, 3-Pyridinecarbonitrile, 1,2-dihydro-1-methyl-2-oxo-, SCHEMBL1201357, DTXSID001233402, ALBB-034119, AKOS022178108, SB53018, BS-29616, CS-0377299, O10426, F2185-0547 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 44.1 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | CC1CCCCC1 |
| Np Classifier Class | Aminoacids |
| Deep Smiles | N#Cccccnc6=O))C |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Pyridines and derivatives |
| Scaffold Graph Node Level | OC1CCCCN1 |
| Classyfire Subclass | 3-pyridinecarbonitriles |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 267.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-methyl-2-oxopyridine-3-carbonitrile |
| Veber Rule | True |
| Classyfire Superclass | Organoheterocyclic compounds |
| Xlogp | 0.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C7H6N2O |
| Scaffold Graph Node Bond Level | O=c1cccc[nH]1 |
| Inchi Key | FGNXJXOLWUDCCB-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 0.0 |
| Synonyms | 1-methyl-2-oxo-1,2-dihydropyridine-3-carbonitrile, ricinidine |
| Esol Class | Very soluble |
| Functional Groups | c=O, cC#N, cn(c)C |
| Compound Name | 1,2-Dihydro-1-methyl-2-oxo-3-pyridinecarbonitrile |
| Exact Mass | 134.048 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 134.048 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 134.14 |
| 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 |
| Inchi | InChI=1S/C7H6N2O/c1-9-4-2-3-6(5-8)7(9)10/h2-4H,1H3 |
| Smiles | CN1C=CC=C(C1=O)C#N |
| Np Classifier Biosynthetic Pathway | Amino acids and Peptides, Shikimates and Phenylpropanoids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Small peptides |
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