1.0 2010-04-08 22:14:36 UTC 2019-11-26 03:17:53 UTC FDB019817 1-Propenylpyrazine Maillard product. Volatile constituent of yeast extract, roasted peanut, roasted coconut, roasted sesame, coffee, bread aroma, cocoa and extrusion cooked wheat or maize flour. 1-Propenylpyrazine is found in many foods, some of which are mushrooms, cocoa and cocoa products, cereals and cereal products, and coffee and coffee products. C7H8N2 120.1518 120.068748266 2-[(1E)-prop-1-en-1-yl]pyrazine 2-[(1E)-prop-1-en-1-yl]pyrazine 34413-32-6 C\C=C\C1=CN=CC=N1 InChI=1S/C7H8N2/c1-2-3-7-6-8-4-5-9-7/h2-6H,1H3/b3-2+ ZBHYPERRXYKXGT-NSCUHMNNSA-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 1.28 ALOGPS logs -0.26 ALOGPS solubility 6.58e+01 g/l ALOGPS logp 0.89 ChemAxon pka_strongest_basic 0.87 ChemAxon iupac 2-[(1E)-prop-1-en-1-yl]pyrazine ChemAxon average_mass 120.1518 ChemAxon mono_mass 120.068748266 ChemAxon smiles C\C=C\C1=CN=CC=N1 ChemAxon formula C7H8N2 ChemAxon inchi InChI=1S/C7H8N2/c1-2-3-7-6-8-4-5-9-7/h2-6H,1H3/b3-2+ ChemAxon inchikey ZBHYPERRXYKXGT-NSCUHMNNSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 36.66 ChemAxon polarizability 13.13 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 2953 Specdb::CMs 155094 Specdb::MsIr 8676 Specdb::MsIr 8677 Specdb::MsMs 179175 Specdb::MsMs 179176 Specdb::MsMs 179177 Specdb::MsMs 181500 Specdb::MsMs 181501 Specdb::MsMs 181502 Specdb::MsMs 2733456 Specdb::MsMs 2733457 Specdb::MsMs 2733458 Specdb::MsMs 2972982 Specdb::MsMs 2972983 Specdb::MsMs 2972984 Specdb::NmrOneD 38462 Specdb::NmrOneD 38463 Specdb::NmrOneD 38464 Specdb::NmrOneD 38465 Specdb::NmrOneD 38466 Specdb::NmrOneD 38467 Specdb::NmrOneD 38468 Specdb::NmrOneD 38469 Specdb::NmrOneD 38470 Specdb::NmrOneD 38471 Specdb::NmrOneD 38472 Specdb::NmrOneD 38473 Specdb::NmrOneD 38474 Specdb::NmrOneD 38475 Specdb::NmrOneD 38476 Specdb::NmrOneD 38477 Specdb::NmrOneD 38478 Specdb::NmrOneD 38479 Specdb::NmrOneD 38480 Specdb::NmrOneD 38481 HMDB40124 #<Reference:0x000055ce32bc7a68> Arabica coffee Type 1 specific Coffea arabica 13443 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Cocoa and cocoa products Unknown generic Cocoa bean Type 1 specific Theobroma cacao 3641 Coffee and coffee products Unknown generic Common mushroom Type 1 specific Agaricus bisporus 5341 Mushrooms Unknown generic Nuts Unknown generic Oyster mushroom Type 1 specific Pleurotus ostreatus 5322 Robusta coffee Type 1 specific Coffea canephora 49390