1.0 2010-04-08 22:14:30 UTC 2019-11-26 03:17:46 UTC FDB019672 2-Methyl-6-(1-propenyl)pyrazine Constituent of okra pods, coffee, roasted sesame, roasted green tea and cooked beef. 2-Methyl-6-(1-propenyl)pyrazine is found in many foods, some of which are coffee and coffee products, cereals and cereal products, tea, and animal foods. 2-Methyl-6-(1-propenyl)-(e)-pyrazine 2-Methyl-6-(1-propenyl)-(Z)-pyrazine 2-Methyl-6-(1-propenyl)-pyrazine 2-Methyl-6-[(1E)-1-propenyl]pyrazine 2-Methyl-6-propenyl-(e)-pyrazine 2-methyl-6-propenylpyrazine Pyrazine, 2-methyl-6-(1-propenyl)-, (e)- Pyrazine, 2-methyl-6-(1-propenyl)-, (Z)- Pyrazine, 2-methyl-6-propenyl-, (E)- C8H10N2 134.1784 134.08439833 2-methyl-6-[(1E)-prop-1-en-1-yl]pyrazine 2-methyl-6-[(1E)-prop-1-en-1-yl]pyrazine 104638-11-1 C\C=C\C1=CN=CC(C)=N1 InChI=1S/C8H10N2/c1-3-4-8-6-9-5-7(2)10-8/h3-6H,1-2H3/b4-3+ NOBVHXZAVPKZQU-ONEGZZNKSA-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 1.78 ALOGPS logs -0.67 ALOGPS solubility 2.85e+01 g/l ALOGPS logp 1.03 ChemAxon pka_strongest_basic 1.39 ChemAxon iupac 2-methyl-6-[(1E)-prop-1-en-1-yl]pyrazine ChemAxon average_mass 134.1784 ChemAxon mono_mass 134.08439833 ChemAxon smiles C\C=C\C1=CN=CC(C)=N1 ChemAxon formula C8H10N2 ChemAxon inchi InChI=1S/C8H10N2/c1-3-4-8-6-9-5-7(2)10-8/h3-6H,1-2H3/b4-3+ ChemAxon inchikey NOBVHXZAVPKZQU-ONEGZZNKSA-N ChemAxon polar_surface_area 25.78 ChemAxon refractivity 41.25 ChemAxon polarizability 15.25 ChemAxon rotatable_bond_count 1 ChemAxon acceptor_count 2 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 15203 Specdb::CMs 131137 Specdb::CMs 138871 Specdb::MsIr 8436 Specdb::MsIr 8437 Specdb::NmrOneD 37742 Specdb::NmrOneD 37743 Specdb::NmrOneD 37744 Specdb::NmrOneD 37745 Specdb::NmrOneD 37746 Specdb::NmrOneD 37747 Specdb::NmrOneD 37748 Specdb::NmrOneD 37749 Specdb::NmrOneD 37750 Specdb::NmrOneD 37751 Specdb::NmrOneD 37752 Specdb::NmrOneD 37753 Specdb::NmrOneD 37754 Specdb::NmrOneD 37755 Specdb::NmrOneD 37756 Specdb::NmrOneD 37757 Specdb::NmrOneD 37758 Specdb::NmrOneD 37759 Specdb::NmrOneD 37760 Specdb::NmrOneD 37761 Specdb::MsMs 299707 Specdb::MsMs 299708 Specdb::MsMs 299709 Specdb::MsMs 341788 Specdb::MsMs 341789 Specdb::MsMs 341790 Specdb::MsMs 2358042 Specdb::MsMs 2358043 Specdb::MsMs 2358044 Specdb::MsMs 2604491 Specdb::MsMs 2604492 Specdb::MsMs 2604493 HMDB39990 #<Reference:0x000055ce31e49508> Arabica coffee Type 1 specific Coffea arabica 13443 Black tea Type 1 Breakfast cereal Type 2 specific Cereals and cereal products Unknown generic Coffee and coffee products Unknown generic Green tea Type 1 Green vegetables Unknown generic Herbal tea Type 1 Red tea Type 1 Robusta coffee Type 1 specific Coffea canephora 49390 Tea Type 1 specific Camellia sinensis 4442