2-Propionylpyridine
PubChem CID: 520574
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| Compound Synonyms | 2-Propionylpyridine, 3238-55-9, 1-(pyridin-2-yl)propan-1-one, 1-pyridin-2-ylpropan-1-one, 1-Propanone, 1-(2-pyridinyl)-, 1-(2-Pyridinyl)-1-propanone, 2-Pyridyl ethyl ketone, 1-Propanone, 1-(2-pyridyl)-, MFCD00023486, DTXSID00334397, methylacetylpyridine, 2-propionyl pyridine, ethyl-2-pyridylketone, SCHEMBL156496, 1-pyridin-2-yl-propan-1-one, DTXCID10285487, 1-(2-Pyridinyl)-1-propanone #, AKOS005174374, AB01373, AS-31187, FP123526, SY005362, DB-048209, 1-(pyridin-2-yl)propan-1-one, AldrichCPR, CS-0186684, NS00113895, EN300-61094 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 30.0 |
| Hydrogen Bond Donor Count | 0.0 |
| Pfizer 3 75 Rule | False |
| Scaffold Graph Level | C1CCCCC1 |
| Np Classifier Class | Pyridine alkaloids |
| Deep Smiles | CCC=O)cccccn6 |
| Heavy Atom Count | 10.0 |
| Classyfire Class | Organooxygen compounds |
| Scaffold Graph Node Level | C1CCNCC1 |
| Classyfire Subclass | Carbonyl compounds |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 1-pyridin-2-ylpropan-1-one |
| Veber Rule | True |
| Classyfire Superclass | Organic oxygen compounds |
| Xlogp | 1.3 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C8H9NO |
| Scaffold Graph Node Bond Level | c1ccncc1 |
| Inchi Key | ZHAZHKPVEROFLH-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 2.0 |
| Synonyms | 1-pyridin-2-ylpropan-1-one |
| Esol Class | Very soluble |
| Functional Groups | cC(C)=O, cnc |
| Compound Name | 2-Propionylpyridine |
| Exact Mass | 135.068 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 135.068 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 135.16 |
| 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/C8H9NO/c1-2-8(10)7-5-3-4-6-9-7/h3-6H,2H2,1H3 |
| Smiles | CCC(=O)C1=CC=CC=N1 |
| Np Classifier Biosynthetic Pathway | Alkaloids |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
| Np Classifier Superclass | Nicotinic acid alkaloids |
- 1. Outgoing r'ship
FOUND_INto/from Chrysopogon Zizanioides (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2005.9699005