3-Ethenyl-2,5-dimethylpyrazine
PubChem CID: 526561
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| Compound Synonyms | 3-ethenyl-2,5-dimethylpyrazine, 80935-98-4, 2-ethenyl-3,6(5)-dimethylpyrazine, 2,5-Dimethyl-3-vinylpyrazine, Pyrazine, 3-ethenyl-2,5-dimethyl-, 2,5-Dimethyl-6-vinylpyrazine, 3-Vinyl-2,5-dimethylpyrazine, 2,5-dimethyl-3-vinyl pyrazine, 2-ethenyl-3,6-dimethylpyrazine, SCHEMBL10307330, DTXSID50335718, JLPZQZIYSREPPU-UHFFFAOYSA-N |
|---|---|
| Topological Polar Surface Area | 25.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 10.0 |
| Description | 2,5-dimethyl-6-vinylpyrazine is a member of the class of compounds known as pyrazines. Pyrazines are compounds containing a pyrazine ring, which is a six-member aromatic heterocycle, that consists of two nitrogen atoms (at positions 1 and 4) and four carbon atoms. 2,5-dimethyl-6-vinylpyrazine is soluble (in water) and a moderately basic compound (based on its pKa). 2,5-dimethyl-6-vinylpyrazine can be found in kohlrabi, which makes 2,5-dimethyl-6-vinylpyrazine a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 122.0 |
| Database Name | cmaup_ingredients;fooddb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 3-ethenyl-2,5-dimethylpyrazine |
| Nih Violation | False |
| Prediction Hob | 1.0 |
| Xlogp | 1.4 |
| Is Pains | False |
| Molecular Formula | C8H10N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | JLPZQZIYSREPPU-UHFFFAOYSA-N |
| Fcsp3 | 0.25 |
| Rotatable Bond Count | 1.0 |
| Compound Name | 3-Ethenyl-2,5-dimethylpyrazine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 134.084 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 134.084 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 134.18 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.9067283999999998 |
| Inchi | InChI=1S/C8H10N2/c1-4-8-7(3)9-5-6(2)10-8/h4-5H,1H2,2-3H3 |
| Smiles | CC1=CN=C(C(=N1)C=C)C |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:cmaup_ingredients;fooddb_chem_all