6,7-dimethoxy-6H-3,1-benzoxazine-2,4-dione

C10H9NO5 — CID 71650965

IUPAC6,7-dimethoxy-6H-3,1-benzoxazine-2,4-dione
SMILESCOC1=CC2=NC(=O)OC(=O)C2=CC1OC
InChIInChI=1S/C10H9NO5/c1-14-7-3-5-6(4-8(7)15-2)11-10(13)16-9(5)12/h3-4,7H,1-2H3
InChIKeyKHPDGRXFAYCDAX-UHFFFAOYSA-N
MW223.18 g/mol
LogP0.59
Rot. Bonds2

About 6,7-dimethoxy-6H-3,1-benzoxazine-2,4-dione

6,7-dimethoxy-6H-3,1-benzoxazine-2,4-dione (PubChem CID 71650965) has the molecular formula C10H9NO5 and a molecular weight of 223.18 g/mol. Its IUPAC name is 6,7-dimethoxy-6H-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6,7-dimethoxy-6H-3,1-benzoxazine-2,4-dione
PubChem CID71650965
Molecular FormulaC10H9NO5
Molecular Weight223.18 g/mol
Exact Mass223.05
IUPAC Name6,7-dimethoxy-6H-3,1-benzoxazine-2,4-dione
SMILESCOC1=CC2=NC(=O)OC(=O)C2=CC1OC
InChIInChI=1S/C10H9NO5/c1-14-7-3-5-6(4-8(7)15-2)11-10(13)16-9(5)12/h3-4,7H,1-2H3
InChIKeyKHPDGRXFAYCDAX-UHFFFAOYSA-N
XLogP0.59
TPSA74.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.18
LogP ≤ 50.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-fluoro-7-methoxy-6H-3,1-benzoxazine-2,4-dione
CID 137698770
6-methoxy-6H-3,1-benzoxazine-2,4-dione
CID 71303780
(6-methoxy-4-oxo-6H-quinazolin-7-yl) acetate
CID 72208548
6,7-dimethoxy-4aH-3,1-benzoxazine-2,4-dione
CID 91668367

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-6H-3,1-benzoxazine-2,4-dione?
The IUPAC name of 6,7-dimethoxy-6H-3,1-benzoxazine-2,4-dione (CID 71650965) is 6,7-dimethoxy-6H-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 6,7-dimethoxy-6H-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 6,7-dimethoxy-6H-3,1-benzoxazine-2,4-dione is COC1=CC2=NC(=O)OC(=O)C2=CC1OC.
What is the InChIKey of 6,7-dimethoxy-6H-3,1-benzoxazine-2,4-dione?
The InChIKey is KHPDGRXFAYCDAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5/c1-14-7-3-5-6(4-8(7)15-2)11-10(13)16-9(5)12/h3-4,7H,1-2H3.
What are the key properties of 6,7-dimethoxy-6H-3,1-benzoxazine-2,4-dione?
6,7-dimethoxy-6H-3,1-benzoxazine-2,4-dione has a molecular weight of 223.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-6H-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 71650965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).