1.0 2010-04-08 22:13:22 UTC 2019-11-26 03:15:24 UTC FDB017893 7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one Alkaloid from the roots of Glycyrrhiza uralensis (Chinese licorice). 7,8-Dihydro-3-methylpyrrolo[1,2-a]pyrimidin-2(6H)-one is found in herbs and spices. C8H10N2O 150.1778 150.079312952 3-methyl-2H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-2-one 3-methyl-6H,7H,8H-pyrrolo[1,2-a]pyrimidin-2-one 76884-47-4 CC1=CN2CCCC2=NC1=O InChI=1S/C8H10N2O/c1-6-5-10-4-2-3-7(10)9-8(6)11/h5H,2-4H2,1H3 KRYURACLPUIPBO-UHFFFAOYSA-N belongs to the class of organic compounds known as pyrimidones. Pyrimidones are compounds that contain a pyrimidine ring, which bears a ketone. Pyrimidine is a 6-membered ring consisting of four carbon atoms and two nitrogen centers at the 1- and 3- ring positions. Pyrimidones Organic compounds Organoheterocyclic compounds Diazines Pyrimidines and pyrimidine derivatives Aromatic heteropolycyclic compounds Azacyclic compounds Heteroaromatic compounds Hydrocarbon derivatives Organic oxides Organonitrogen compounds Organooxygen compounds Organopnictogen compounds Vinylogous amides Aromatic heteropolycyclic compound Azacycle Heteroaromatic compound Hydrocarbon derivative Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Pyrimidone Vinylogous amide logp 0.46 ALOGPS logs -1.17 ALOGPS solubility 1.01e+01 g/l ALOGPS logp 0.034 ChemAxon pka_strongest_basic 0.28 ChemAxon iupac 3-methyl-2H,6H,7H,8H-pyrrolo[1,2-a]pyrimidin-2-one ChemAxon average_mass 150.1778 ChemAxon mono_mass 150.079312952 ChemAxon smiles CC1=CN2CCCC2=NC1=O ChemAxon formula C8H10N2O ChemAxon inchi InChI=1S/C8H10N2O/c1-6-5-10-4-2-3-7(10)9-8(6)11/h5H,2-4H2,1H3 ChemAxon inchikey KRYURACLPUIPBO-UHFFFAOYSA-N ChemAxon polar_surface_area 32.67 ChemAxon refractivity 41.7 ChemAxon polarizability 15.9 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 3 ChemAxon donor_count 0 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsIr 7961 Specdb::MsIr 7962 Specdb::CMs 14327 Specdb::CMs 146466 Specdb::NmrOneD 27082 Specdb::NmrOneD 27083 Specdb::NmrOneD 27084 Specdb::NmrOneD 27085 Specdb::NmrOneD 27086 Specdb::NmrOneD 27087 Specdb::NmrOneD 27088 Specdb::NmrOneD 27089 Specdb::NmrOneD 27090 Specdb::NmrOneD 27091 Specdb::NmrOneD 27092 Specdb::NmrOneD 27093 Specdb::NmrOneD 27094 Specdb::NmrOneD 27095 Specdb::NmrOneD 27096 Specdb::NmrOneD 27097 Specdb::NmrOneD 27098 Specdb::NmrOneD 27099 Specdb::NmrOneD 27100 Specdb::NmrOneD 27101 Specdb::MsMs 100713 Specdb::MsMs 100714 Specdb::MsMs 100715 Specdb::MsMs 166140 Specdb::MsMs 166141 Specdb::MsMs 166142 Specdb::MsMs 2736065 Specdb::MsMs 2736066 Specdb::MsMs 2736067 Specdb::MsMs 2973741 Specdb::MsMs 2973742 Specdb::MsMs 2973743 HMDB38513 #<Reference:0x000055ce30abc8c8> Herbs and Spices Unknown generic