1.0 2010-04-08 22:10:44 UTC 2019-11-26 03:08:28 UTC FDB013467 3,5-Dimethyl-2-vinylpyrazine Formed by thermal interaction of ribose and cysteine. Odour constituent of roasted coffeeand is) also present in fried beef volatiles. 3,5-Dimethyl-2-vinylpyrazine is found in coffee and coffee products and animal foods. 2-Ethenyl-3,5-dimethylpyrazine, 9CI bis(2-Nitrophenyl)sulfilimine C8H10N2 134.1784 134.08439833 2-ethenyl-3,5-dimethylpyrazine 2-ethenyl-3,5-dimethylpyrazine 157615-33-3 CC1=CN=C(C=C)C(C)=N1 InChI=1S/C8H10N2/c1-4-8-7(3)10-6(2)5-9-8/h4-5H,1H2,2-3H3 ZUOLEJGELMNGPM-UHFFFAOYSA-N belongs to the class of organic 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. Pyrazines Organic compounds Organoheterocyclic compounds Diazines Pyrazines Aromatic heteromonocyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Aromatic heteromonocyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Pyrazine logp 1.37 ALOGPS logs -0.91 ALOGPS solubility 1.66e+01 g/l ALOGPS logp 0.77 ChemAxon pka_strongest_basic 2.09 ChemAxon iupac 2-ethenyl-3,5-dimethylpyrazine ChemAxon average_mass 134.1784 ChemAxon mono_mass 134.08439833 ChemAxon smiles CC1=CN=C(C=C)C(C)=N1 ChemAxon formula C8H10N2 ChemAxon inchi InChI=1S/C8H10N2/c1-4-8-7(3)10-6(2)5-9-8/h4-5H,1H2,2-3H3 ChemAxon inchikey ZUOLEJGELMNGPM-UHFFFAOYSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 40.17 ChemAxon polarizability 15.21 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 25941 Specdb::CMs 161404 Specdb::MsIr 6726 Specdb::MsIr 6727 Specdb::NmrOneD 128228 Specdb::NmrOneD 128229 Specdb::NmrOneD 128230 Specdb::NmrOneD 128231 Specdb::NmrOneD 128232 Specdb::NmrOneD 128233 Specdb::NmrOneD 128234 Specdb::NmrOneD 128235 Specdb::NmrOneD 128236 Specdb::NmrOneD 128237 Specdb::NmrOneD 128238 Specdb::NmrOneD 128239 Specdb::NmrOneD 128240 Specdb::NmrOneD 128241 Specdb::NmrOneD 128242 Specdb::NmrOneD 128243 Specdb::NmrOneD 128244 Specdb::NmrOneD 128245 Specdb::NmrOneD 128246 Specdb::NmrOneD 128247 Specdb::MsMs 47550 Specdb::MsMs 47551 Specdb::MsMs 47552 Specdb::MsMs 167409 Specdb::MsMs 167410 Specdb::MsMs 167411 Specdb::MsMs 2774780 Specdb::MsMs 2774781 Specdb::MsMs 2774782 Specdb::MsMs 2906529 Specdb::MsMs 2906530 Specdb::MsMs 2906531 HMDB34891 #<Reference:0x0000561271cc0a18> Arabica coffee Type 1 specific Coffea arabica 13443 Coffee and coffee products Unknown generic Robusta coffee Type 1 specific Coffea canephora 49390 earth earthy musty