6-methoxy-6H-3,1-benzoxazine-2,4-dione

C9H7NO4 — CID 71303780

IUPAC6-methoxy-6H-3,1-benzoxazine-2,4-dione
SMILESCOC1C=CC2=NC(=O)OC(=O)C2=C1
InChIInChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)8(11)14-9(12)10-7/h2-5H,1H3
InChIKeyHSDCGQWJIAFGGS-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.62
Rot. Bonds1

About 6-methoxy-6H-3,1-benzoxazine-2,4-dione

6-methoxy-6H-3,1-benzoxazine-2,4-dione (PubChem CID 71303780) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 6-methoxy-6H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6-methoxy-6H-3,1-benzoxazine-2,4-dione
PubChem CID71303780
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name6-methoxy-6H-3,1-benzoxazine-2,4-dione
SMILESCOC1C=CC2=NC(=O)OC(=O)C2=C1
InChIInChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)8(11)14-9(12)10-7/h2-5H,1H3
InChIKeyHSDCGQWJIAFGGS-UHFFFAOYSA-N
XLogP0.62
TPSA64.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.16
LogP ≤ 50.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

6-fluoro-6H-3,1-benzoxazine-2,4-dione
CID 71303954
6-fluoro-7-methoxy-6H-3,1-benzoxazine-2,4-dione
CID 137698770
6-methyl-6-propoxy-2H-3,1-benzoxazin-4-one
CID 153761790
2,4-dioxo-6H-3,1-benzoxazine-6-carboxylic acid
CID 71302419
8-methoxy-8H-3,1-benzoxazine-2,4-dione
CID 71303004
3,1-Benzoxazine-2,4,6-trione
CID 71303766
6-Methylidene-3,1-benzoxazine-2,4-dione
CID 71303786
6,7-dimethoxy-6H-3,1-benzoxazine-2,4-dione
CID 71650965
6-iodo-6H-3,1-benzoxazine-2,4-dione
CID 71652093

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-6H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 6-methoxy-6H-3,1-benzoxazine-2,4-dione (CID 71303780) is 6-methoxy-6H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 6-methoxy-6H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 6-methoxy-6H-3,1-benzoxazine-2,4-dione is COC1C=CC2=NC(=O)OC(=O)C2=C1.
What is the InChIKey of 6-methoxy-6H-3,1-benzoxazine-2,4-dione?
The InChIKey is HSDCGQWJIAFGGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c1-13-5-2-3-7-6(4-5)8(11)14-9(12)10-7/h2-5H,1H3.
What are the key properties of 6-methoxy-6H-3,1-benzoxazine-2,4-dione?
6-methoxy-6H-3,1-benzoxazine-2,4-dione has a molecular weight of 193.16 g/mol, XLogP of 0.62, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-6H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 71303780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).