1.0 2010-04-08 22:05:33 UTC 2020-02-24 19:10:39 UTC FDB002873 1,3-Dimethylpyrrolo[1,2-a]pyrazine Component of roast beef aroma. 1,3-Dimethylpyrrolo[1,2-a]pyrazine is found in animal foods. C9H10N2 146.1891 146.08439833 1,3-dimethylpyrrolo[1,2-a]pyrazine 1,3-dimethylpyrrolo[1,2-a]pyrazine 64608-62-4 CC1=CN2C=CC=C2C(C)=N1 InChI=1S/C9H10N2/c1-7-6-11-5-3-4-9(11)8(2)10-7/h3-6H,1-2H3 OZKVDBMWPNGAHE-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 2.30 ALOGPS logs -1.30 ALOGPS solubility 7.38e+00 g/l ALOGPS logp 0.65 ChemAxon pka_strongest_basic 0.84 ChemAxon iupac 1,3-dimethylpyrrolo[1,2-a]pyrazine ChemAxon average_mass 146.1891 ChemAxon mono_mass 146.08439833 ChemAxon smiles CC1=CN2C=CC=C2C(C)=N1 ChemAxon formula C9H10N2 ChemAxon inchi InChI=1S/C9H10N2/c1-7-6-11-5-3-4-9(11)8(2)10-7/h3-6H,1-2H3 ChemAxon inchikey OZKVDBMWPNGAHE-UHFFFAOYSA-N ChemAxon polar_surface_area 17.3 ChemAxon refractivity 45.17 ChemAxon polarizability 16.47 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 1 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 4018 Specdb::MsIr 4019 Specdb::CMs 19387 Specdb::CMs 161923 Specdb::NmrOneD 162409 Specdb::NmrOneD 162410 Specdb::NmrOneD 162411 Specdb::NmrOneD 162412 Specdb::NmrOneD 162413 Specdb::NmrOneD 162414 Specdb::NmrOneD 162415 Specdb::NmrOneD 162416 Specdb::NmrOneD 162417 Specdb::NmrOneD 162418 Specdb::NmrOneD 162419 Specdb::NmrOneD 162420 Specdb::NmrOneD 162421 Specdb::NmrOneD 162422 Specdb::NmrOneD 162423 Specdb::NmrOneD 162424 Specdb::NmrOneD 162425 Specdb::NmrOneD 162426 Specdb::NmrOneD 162427 Specdb::NmrOneD 162428 Specdb::MsMs 82869 Specdb::MsMs 82870 Specdb::MsMs 82871 Specdb::MsMs 144354 Specdb::MsMs 144355 Specdb::MsMs 144356 Specdb::MsMs 2362013 Specdb::MsMs 2362014 Specdb::MsMs 2362015 Specdb::MsMs 2599850 Specdb::MsMs 2599851 Specdb::MsMs 2599852 HMDB30908 #<Reference:0x000055ce31683e18>