8-methoxy-8H-3,1-benzoxazine-2,4-dione

C9H7NO4 — CID 71303004

IUPAC8-methoxy-8H-3,1-benzoxazine-2,4-dione
SMILESCOC1C=CC=C2C(=O)OC(=O)N=C21
InChIInChI=1S/C9H7NO4/c1-13-6-4-2-3-5-7(6)10-9(12)14-8(5)11/h2-4,6H,1H3
InChIKeyYXSXFRKOSHWCFT-UHFFFAOYSA-N
MW193.16 g/mol
LogP0.62
Rot. Bonds1

About 8-methoxy-8H-3,1-benzoxazine-2,4-dione

8-methoxy-8H-3,1-benzoxazine-2,4-dione (PubChem CID 71303004) has the molecular formula C9H7NO4 and a molecular weight of 193.16 g/mol. Its IUPAC name is 8-methoxy-8H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name8-methoxy-8H-3,1-benzoxazine-2,4-dione
PubChem CID71303004
Molecular FormulaC9H7NO4
Molecular Weight193.16 g/mol
Exact Mass193.04
IUPAC Name8-methoxy-8H-3,1-benzoxazine-2,4-dione
SMILESCOC1C=CC=C2C(=O)OC(=O)N=C21
InChIInChI=1S/C9H7NO4/c1-13-6-4-2-3-5-7(6)10-9(12)14-8(5)11/h2-4,6H,1H3
InChIKeyYXSXFRKOSHWCFT-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'}

Analyze 8-methoxy-8H-3,1-benzoxazine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Methyl-8-methylidene-3,1-benzoxazine-2,4-dione
CID 71302883
8-Methylidene-3,1-benzoxazine-2,4-dione
CID 71303010
6-methoxy-6H-3,1-benzoxazine-2,4-dione
CID 71303780
8-methoxy-1-methyl-8H-3,1-benzoxazin-1-ium-2,4-dione
CID 73166502

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-8H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 8-methoxy-8H-3,1-benzoxazine-2,4-dione (CID 71303004) is 8-methoxy-8H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 8-methoxy-8H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 8-methoxy-8H-3,1-benzoxazine-2,4-dione is COC1C=CC=C2C(=O)OC(=O)N=C21.
What is the InChIKey of 8-methoxy-8H-3,1-benzoxazine-2,4-dione?
The InChIKey is YXSXFRKOSHWCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO4/c1-13-6-4-2-3-5-7(6)10-9(12)14-8(5)11/h2-4,6H,1H3.
What are the key properties of 8-methoxy-8H-3,1-benzoxazine-2,4-dione?
8-methoxy-8H-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 8-methoxy-8H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 71303004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).