1.0 2010-04-08 22:05:33 UTC 2020-02-24 19:10:39 UTC FDB002872 3,4-Dimethylpyrrolo[1,2-a]pyrazine Component of roast beef aroma. 3,4-Dimethylpyrrolo[1,2-a]pyrazine is found in animal foods. C9H10N2 146.1891 146.08439833 3,4-dimethylpyrrolo[1,2-a]pyrazine 3,4-dimethylpyrrolo[1,2-a]pyrazine 64608-64-6 CC1=C(C)N2C=CC=C2C=N1 InChI=1S/C9H10N2/c1-7-8(2)11-5-3-4-9(11)6-10-7/h3-6H,1-2H3 RWOJBYQXLMZJMR-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrrolopyrazines. Pyrrolopyrazines are compounds containing a pyrrolopyrazine moiety, which consists of a pyrrole ring fused to a pyrazine. Pyrrole is 5-membered ring consisting of four carbon atoms and one nitrogen atom. Pyrazine is a 6-membered ring consisting of six carbon atoms and two nitrogen centers at ring positions 1 and 4. Pyrrolopyrazines Organic compounds Organoheterocyclic compounds Pyrrolopyrazines Aromatic heteropolycyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organonitrogen compounds Organopnictogen compounds Pyrazines Pyrroles Aromatic heteropolycyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organonitrogen compound Organopnictogen compound Pyrazine Pyrrole Pyrrolopyrazine logp 1.54 ALOGPS logs -1.31 ALOGPS solubility 7.15e+00 g/l ALOGPS melting_point Mp 50° logp 0.72 ChemAxon pka_strongest_basic 0.096 ChemAxon iupac 3,4-dimethylpyrrolo[1,2-a]pyrazine ChemAxon average_mass 146.1891 ChemAxon mono_mass 146.08439833 ChemAxon smiles CC1=C(C)N2C=CC=C2C=N1 ChemAxon formula C9H10N2 ChemAxon inchi InChI=1S/C9H10N2/c1-7-8(2)11-5-3-4-9(11)6-10-7/h3-6H,1-2H3 ChemAxon inchikey RWOJBYQXLMZJMR-UHFFFAOYSA-N ChemAxon polar_surface_area 17.3 ChemAxon refractivity 45.72 ChemAxon polarizability 16.28 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::CMs 26439 Specdb::CMs 151140 Specdb::MsIr 4016 Specdb::MsIr 4017 Specdb::MsMs 9689 Specdb::MsMs 9690 Specdb::MsMs 9691 Specdb::MsMs 16361 Specdb::MsMs 16362 Specdb::MsMs 16363 Specdb::MsMs 2461519 Specdb::MsMs 2461520 Specdb::MsMs 2461521 Specdb::MsMs 2477597 Specdb::MsMs 2477598 Specdb::MsMs 2477599 Specdb::NmrOneD 110738 Specdb::NmrOneD 110739 Specdb::NmrOneD 110740 Specdb::NmrOneD 110741 Specdb::NmrOneD 110742 Specdb::NmrOneD 110743 Specdb::NmrOneD 110744 Specdb::NmrOneD 110745 Specdb::NmrOneD 110746 Specdb::NmrOneD 110747 Specdb::NmrOneD 110748 Specdb::NmrOneD 110749 Specdb::NmrOneD 110750 Specdb::NmrOneD 110751 Specdb::NmrOneD 110752 Specdb::NmrOneD 110753 Specdb::NmrOneD 110754 Specdb::NmrOneD 110755 Specdb::NmrOneD 110756 Specdb::NmrOneD 110757 HMDB30907 #<Reference:0x000055ce329187b8>