Vinylpyrazine
PubChem CID: 77840
Connections displayed (default: 10).
Loading graph...
| Compound Synonyms | 2-Vinylpyrazine, 4177-16-6, 2-ethenylpyrazine, Vinylpyrazine, Pyrazine, ethenyl-, Pyrazine, vinyl-, ethenylpyrazine, UNII-Y6TPK237O6, 2-Vinylpyrazine (stabilized with TBC), Y6TPK237O6, EINECS 224-045-2, PYRAZINE, 2-ETHENYL-, CHEMBL4559624, DTXSID80194592, vinyl pyrazine, 2ethenylpyrazine, MFCD00051591, 2-Vinylpyrazine, 97%, SCHEMBL195894, DTXCID20117083, BDBM50622810, AKOS015892512, FV35644, AS-78336, DB-070218, CS-0218038, NS00022165, V0060, EN300-98699, 2-Vinylpyrazine, >/=98%,stabilized with TBC, T72447, V30100, Q22027560, 2-Vinylpyrazine - Stabilised with 0.1% of hydroquinone, 224-045-2 |
|---|---|
| Topological Polar Surface Area | 25.8 |
| Hydrogen Bond Donor Count | 0.0 |
| Heavy Atom Count | 8.0 |
| Description | 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. Vinylpyrazine is soluble (in water) and an extremely weak basic (essentially neutral) compound (based on its pKa). Vinylpyrazine is a nutty tasting compound found in kohlrabi, which makes vinylpyrazine a potential biomarker for the consumption of this food product. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 80.6 |
| Database Name | cmaup_ingredients;fooddb_chem_all;npass_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 2-ethenylpyrazine |
| Prediction Hob | 1.0 |
| Xlogp | 0.6 |
| Molecular Formula | C6H6N2 |
| Prediction Swissadme | 0.0 |
| Inchi Key | KANZWHBYRHQMKZ-UHFFFAOYSA-N |
| Fcsp3 | 0.0 |
| Logs | 0.777 |
| Rotatable Bond Count | 1.0 |
| Logd | 0.685 |
| Synonyms | Ethenylpyrazine, 9CI, 8CI |
| Compound Name | Vinylpyrazine |
| Prediction Hob Swissadme | 0.0 |
| Exact Mass | 106.053 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 106.053 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 106.13 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Esol | -1.3775935999999998 |
| Inchi | InChI=1S/C6H6N2/c1-2-6-5-7-3-4-8-6/h2-5H,1H2 |
| Smiles | C=CC1=NC=CN=C1 |
| Nring | 1.0 |
| Defined Bond Stereocenter Count | 0.0 |
- 1. Outgoing r'ship
FOUND_INto/from Brassica Oleracea (Plant) Rel Props:Source_db:fooddb_chem_all - 2. Outgoing r'ship
FOUND_INto/from Prunus Mume (Plant) Rel Props:Source_db:cmaup_ingredients;npass_chem_all