2H-1,4-benzoxazin-3(4H)-one
PubChem CID: 72757
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| Compound Synonyms | 2H-1,4-Benzoxazin-3(4H)-one, 5466-88-6, 2H-1,4-Benzoxazin-3-one, 4H-1,4-benzoxazin-3-one, 2H-benzo[b][1,4]oxazin-3(4H)-one, MFCD00158536, 3-Oxo-4H-benzo[1,4]oxazine, 3,4-dihydro-2H-1,4-benzoxazin-3-one, Q0QAF5G662, NSC 26354, NSC-26354, 4-AZA-3-CHROMANONE, 4h-benzo(1,4)oxazin-3-one, CHEMBL460153, DTXSID80203118, 2H-1,4-Benzoxazin-3(4H)-one (8CI)(9CI), 2H-BENZO(B)(1,4)OXAZIN-3(4H)-ONE, 2,3-DIHYDRO-3-OXO-4H-1,4-BENZOXAZINE, 3-OXO-3,4-DIHYDRO-2H-BENZO(B)(1,4)OXAZINE, 4H-BENZO[1,4]OXAZIN-3-ONE, NSC26354, 1,4-benzoxazin-3-one, 2H-1,4-benzoxazin-3-ol, UNII-Q0QAF5G662, SCHEMBL88746, 4H-[1,4]benzoxazin-3-one, 4H-benzo[1.4]oxazin-3-one, 2H-[1,4]-benzoxazin-3-one, DTXCID80125609, 2H-1,4 benzoxazine-3(4H)one, 2H-1,4-benzoxazin-3-(4H)one, ALBB-020505, (2H)1,4-benzoxazin-3(4H)-one, 2-H-1,4-benzoxazin-3-(4H)one, 2H-1,4-benzoxazin-3-(4H)-one, 2,3-dihydro-1,4-benzoxazin-3-one, 2H-1,4-Benzoxazin-3 (4H)-one, BDBM50438258, STK317993, STL301701, 3-Keto-4-aza-2,3-dihydrobenzopyran, AKOS000121575, AKOS016370878, AB04166, CS-W002455, FA53825, 2H-1,4-BENZOXAZINE-3(4H)-ONE, 3-oxo-2,3-dihydro-4H-1,4-benzoxazine, AC-23158, BP-10112, SY007578, 2H-1,4-Benzoxazin-3(4H)-one (8CI), 2H-1,4-Benzoxazin-3(4H)-one, 99%, 3,4-Dihydro-3-oxo-1,4(2H)-benzoxazine, DB-014112, B4553, EN300-17697, B50450, 1T-0333, AE-473/30224032, Z56989567, F0918-7105, 2H-1,4-Benzoxazine-3(4H)-one, 2H-Benzo[b][1,4]oxazin-3(4H)-one, 628-721-1 |
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| Topological Polar Surface Area | 38.3 |
| Hydrogen Bond Donor Count | 1.0 |
| Heavy Atom Count | 11.0 |
| Description | 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. |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 169.0 |
| Database Name | fooddb_chem_all;hmdb_chem_all;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | 4H-1,4-benzoxazin-3-one |
| Nih Violation | False |
| Class | Benzoxazines |
| Xlogp | 0.9 |
| Superclass | Organoheterocyclic compounds |
| Is Pains | False |
| Subclass | Benzoxazinones |
| Molecular Formula | C8H7NO2 |
| Inchi Key | QRCGFTXRXYMJOS-UHFFFAOYSA-N |
| Rotatable Bond Count | 0.0 |
| Synonyms | 2(H)-1-4-BENZOXAZIN-3(4H)-ONE |
| Compound Name | 2H-1,4-benzoxazin-3(4H)-one |
| Kingdom | Organic compounds |
| Exact Mass | 149.048 |
| Formal Charge | 0.0 |
| Brenk Violation | False |
| Monoisotopic Mass | 149.048 |
| Hydrogen Bond Acceptor Count | 2.0 |
| Molecular Weight | 149.15 |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Molecular Framework | Aromatic heteropolycyclic compounds |
| Inchi | InChI=1S/C8H7NO2/c10-8-5-11-7-4-2-1-3-6(7)9-8/h1-4H,5H2,(H,9,10) |
| Smiles | C1C(=O)NC2=CC=CC=C2O1 |
| Defined Bond Stereocenter Count | 0.0 |
| Taxonomy Direct Parent | Benzoxazinones |
- 1. Outgoing r'ship
FOUND_INto/from Zea Mays (Plant) Rel Props:Source_db:fooddb_chem_all