7-hydroxy-4H-1,4-benzoxazine-2,3-dione

C8H5NO4 — CID 12803687

IUPAC7-hydroxy-4H-1,4-benzoxazine-2,3-dione
SMILESO=c1[nH]c2ccc(O)cc2oc1=O
InChIInChI=1S/C8H5NO4/c10-4-1-2-5-6(3-4)13-8(12)7(11)9-5/h1-3,10H,(H,9,11)
InChIKeyLXWXFKYFMODNMK-UHFFFAOYSA-N
MW179.13 g/mol
LogP0.19
Rot. Bonds

About 7-hydroxy-4H-1,4-benzoxazine-2,3-dione

7-hydroxy-4H-1,4-benzoxazine-2,3-dione (PubChem CID 12803687) has the molecular formula C8H5NO4 and a molecular weight of 179.13 g/mol. Its IUPAC name is 7-hydroxy-4H-1,4-benzoxazine-2,3-dione.

Molecular Properties

Compound Name7-hydroxy-4H-1,4-benzoxazine-2,3-dione
PubChem CID12803687
Molecular FormulaC8H5NO4
Molecular Weight179.13 g/mol
Exact Mass179.02
IUPAC Name7-hydroxy-4H-1,4-benzoxazine-2,3-dione
SMILESO=c1[nH]c2ccc(O)cc2oc1=O
InChIInChI=1S/C8H5NO4/c10-4-1-2-5-6(3-4)13-8(12)7(11)9-5/h1-3,10H,(H,9,11)
InChIKeyLXWXFKYFMODNMK-UHFFFAOYSA-N
XLogP0.19
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.13
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-hydroxy-4H-1,4-benzoxazine-2,3-dione?
The IUPAC name of 7-hydroxy-4H-1,4-benzoxazine-2,3-dione (CID 12803687) is 7-hydroxy-4H-1,4-benzoxazine-2,3-dione.
What is the SMILES notation for 7-hydroxy-4H-1,4-benzoxazine-2,3-dione?
The canonical SMILES for 7-hydroxy-4H-1,4-benzoxazine-2,3-dione is O=c1[nH]c2ccc(O)cc2oc1=O.
What is the InChIKey of 7-hydroxy-4H-1,4-benzoxazine-2,3-dione?
The InChIKey is LXWXFKYFMODNMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5NO4/c10-4-1-2-5-6(3-4)13-8(12)7(11)9-5/h1-3,10H,(H,9,11).
What are the key properties of 7-hydroxy-4H-1,4-benzoxazine-2,3-dione?
7-hydroxy-4H-1,4-benzoxazine-2,3-dione has a molecular weight of 179.13 g/mol, XLogP of 0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-hydroxy-4H-1,4-benzoxazine-2,3-dione is sourced from PubChem (CID 12803687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).