6-methylidene-3,1-benzoxazine-2,4-dione

C9H5NO3 — CID 71303786

IUPAC6-methylidene-3,1-benzoxazine-2,4-dione
SMILESC=c1ccc2c(c1)C(=O)OC(=O)N=2
InChIInChI=1S/C9H5NO3/c1-5-2-3-7-6(4-5)8(11)13-9(12)10-7/h2-4H,1H2
InChIKeyIQXZIETUCAEVGN-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.01
Rot. Bonds

About 6-methylidene-3,1-benzoxazine-2,4-dione

6-methylidene-3,1-benzoxazine-2,4-dione (PubChem CID 71303786) has the molecular formula C9H5NO3 and a molecular weight of 175.14 g/mol. Its IUPAC name is 6-methylidene-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name6-methylidene-3,1-benzoxazine-2,4-dione
PubChem CID71303786
Molecular FormulaC9H5NO3
Molecular Weight175.14 g/mol
Exact Mass175.03
IUPAC Name6-methylidene-3,1-benzoxazine-2,4-dione
SMILESC=c1ccc2c(c1)C(=O)OC(=O)N=2
InChIInChI=1S/C9H5NO3/c1-5-2-3-7-6(4-5)8(11)13-9(12)10-7/h2-4H,1H2
InChIKeyIQXZIETUCAEVGN-UHFFFAOYSA-N
XLogP0.01
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.14
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

8-fluoro-8H-3,1-benzoxazine-2,4-dione
CID 71302988
6-fluoro-6H-3,1-benzoxazine-2,4-dione
CID 71303954
5,8-difluoro-8H-3,1-benzoxazine-2,4-dione
CID 72210822
6-(trifluoromethyl)-6H-3,1-benzoxazine-2,4-dione
CID 76079274
6,8-difluoro-8H-3,1-benzoxazine-2,4-dione
CID 76982746
Methyl 2,3-dihydroquinoline-7-carboxylate
CID 144298433
2,4-dioxo-6H-3,1-benzoxazine-6-carboxylic acid
CID 71302419
6-Methyl-8-methylidene-3,1-benzoxazine-2,4-dione
CID 71302883
8-Methylidene-3,1-benzoxazine-2,4-dione
CID 71303010
6-bromo-6H-3,1-benzoxazine-2,4-dione
CID 71303704
6-chloro-6H-3,1-benzoxazine-2,4-dione
CID 71303737
3,1-Benzoxazine-2,4,6-trione
CID 71303766

Frequently Asked Questions

What is the IUPAC name of 6-methylidene-3,1-benzoxazine-2,4-dione?
The IUPAC name of 6-methylidene-3,1-benzoxazine-2,4-dione (CID 71303786) is 6-methylidene-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 6-methylidene-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 6-methylidene-3,1-benzoxazine-2,4-dione is C=c1ccc2c(c1)C(=O)OC(=O)N=2.
What is the InChIKey of 6-methylidene-3,1-benzoxazine-2,4-dione?
The InChIKey is IQXZIETUCAEVGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO3/c1-5-2-3-7-6(4-5)8(11)13-9(12)10-7/h2-4H,1H2.
What are the key properties of 6-methylidene-3,1-benzoxazine-2,4-dione?
6-methylidene-3,1-benzoxazine-2,4-dione has a molecular weight of 175.14 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methylidene-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 71303786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).