1.0 2010-04-08 22:07:42 UTC 2025-11-18 23:05:07 UTC FDB007622 2H-1,4-Benzoxazin-3(4H)-one 2h-1,4-benzoxazin-3(4h)-one is a member of the class of compounds known as benzoxazinones. Benzoxazinones are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group. 2h-1,4-benzoxazin-3(4h)-one is slightly soluble (in water) and a very weakly acidic compound (based on its pKa). 2h-1,4-benzoxazin-3(4h)-one can be found in corn, which makes 2h-1,4-benzoxazin-3(4h)-one a potential biomarker for the consumption of this food product. 2(H)-1-4-BENZOXAZIN-3(4H)-ONE C8H7NO2 149.1467 149.047678473 3,4-dihydro-2H-1,4-benzoxazin-3-one 2H-1,4-benzoxazin-3(4H)-one O=C1COC2=C(N1)C=CC=C2 InChI=1S/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10) QRCGFTXRXYMJOS-UHFFFAOYSA-N belongs to the class of organic compounds known as benzoxazinones. These are organic compounds containing a benzene fused to an oxazine ring (a six-member aliphatic ring with four carbon atoms, one oxygen atom, and one nitrogen atom) bearing a ketone group. Benzoxazinones Organic compounds Organoheterocyclic compounds Benzoxazines Benzoxazinones Aromatic heteropolycyclic compounds Alkyl aryl ethers Azacyclic compounds Benzenoids Benzomorpholines Carbonyl compounds Hydrocarbon derivatives Lactams Organic oxides Organonitrogen compounds Organopnictogen compounds Oxacyclic compounds Secondary carboxylic acid amides Alkyl aryl ether Aromatic heteropolycyclic compound Azacycle Benzenoid Benzomorpholine Benzoxazinone Carbonyl group Carboxamide group Carboxylic acid derivative Ether Hydrocarbon derivative Lactam Organic nitrogen compound Organic oxide Organic oxygen compound Organonitrogen compound Organooxygen compound Organopnictogen compound Oxacycle Oxazinane Secondary carboxylic acid amide a small molecule logp 0.76 ALOGPS logs -1.36 ALOGPS solubility 6.54e+00 g/l ALOGPS logp 0.75 ChemAxon pka_strongest_acidic 11.63 ChemAxon pka_strongest_basic -4.9 ChemAxon iupac 3,4-dihydro-2H-1,4-benzoxazin-3-one ChemAxon average_mass 149.1467 ChemAxon mono_mass 149.047678473 ChemAxon smiles O=C1COC2=C(N1)C=CC=C2 ChemAxon formula C8H7NO2 ChemAxon inchi InChI=1S/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10) ChemAxon inchikey QRCGFTXRXYMJOS-UHFFFAOYSA-N ChemAxon polar_surface_area 38.33 ChemAxon refractivity 40.83 ChemAxon polarizability 14.49 ChemAxon rotatable_bond_count 0 ChemAxon acceptor_count 2 ChemAxon donor_count 1 ChemAxon physiological_charge 0 ChemAxon formal_charge 0 ChemAxon Specdb::MsMs 86568 Specdb::MsMs 86569 Specdb::MsMs 86570 Specdb::MsMs 148887 Specdb::MsMs 148888 Specdb::MsMs 148889 Specdb::MsMs 3604187 Specdb::MsMs 3604188 Specdb::MsMs 3604189 Specdb::MsMs 3604190 Specdb::MsMs 3604191 Specdb::MsMs 3604192 Corn Type 1 specific Zea mays 4577