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

C9H5NO3 — CID 71303010

IUPAC8-methylidene-3,1-benzoxazine-2,4-dione
SMILESC=c1cccc2c1=NC(=O)OC2=O
InChIInChI=1S/C9H5NO3/c1-5-3-2-4-6-7(5)10-9(12)13-8(6)11/h2-4H,1H2
InChIKeyYSQHZBHKXXTARF-UHFFFAOYSA-N
MW175.14 g/mol
LogP0.01
Rot. Bonds

About 8-methylidene-3,1-benzoxazine-2,4-dione

8-methylidene-3,1-benzoxazine-2,4-dione (PubChem CID 71303010) has the molecular formula C9H5NO3 and a molecular weight of 175.14 g/mol. Its IUPAC name is 8-methylidene-3,1-benzoxazine-2,4-dione.

Molecular Properties

Compound Name8-methylidene-3,1-benzoxazine-2,4-dione
PubChem CID71303010
Molecular FormulaC9H5NO3
Molecular Weight175.14 g/mol
Exact Mass175.03
IUPAC Name8-methylidene-3,1-benzoxazine-2,4-dione
SMILESC=c1cccc2c1=NC(=O)OC2=O
InChIInChI=1S/C9H5NO3/c1-5-3-2-4-6-7(5)10-9(12)13-8(6)11/h2-4H,1H2
InChIKeyYSQHZBHKXXTARF-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
6,8-difluoro-8H-3,1-benzoxazine-2,4-dione
CID 76982746
Methyl 2-oxobenzimidazole-4-carboxylate
CID 53852123
6-Methyl-8-methylidene-3,1-benzoxazine-2,4-dione
CID 71302883
8-methoxy-8H-3,1-benzoxazine-2,4-dione
CID 71303004
6-Methylidene-3,1-benzoxazine-2,4-dione
CID 71303786
8-bromo-8H-3,1-benzoxazine-2,4-dione
CID 71304072
6-iodo-6H-3,1-benzoxazine-2,4-dione
CID 71652093
methyl 2-oxo-4aH-quinoline-4-carboxylate
CID 72207841
8-chloro-8H-3,1-benzoxazine-2,4-dione
CID 77520206

Frequently Asked Questions

What is the IUPAC name of 8-methylidene-3,1-benzoxazine-2,4-dione?
The IUPAC name of 8-methylidene-3,1-benzoxazine-2,4-dione (CID 71303010) is 8-methylidene-3,1-benzoxazine-2,4-dione.
What is the SMILES notation for 8-methylidene-3,1-benzoxazine-2,4-dione?
The canonical SMILES for 8-methylidene-3,1-benzoxazine-2,4-dione is C=c1cccc2c1=NC(=O)OC2=O.
What is the InChIKey of 8-methylidene-3,1-benzoxazine-2,4-dione?
The InChIKey is YSQHZBHKXXTARF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5NO3/c1-5-3-2-4-6-7(5)10-9(12)13-8(6)11/h2-4H,1H2.
What are the key properties of 8-methylidene-3,1-benzoxazine-2,4-dione?
8-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 8-methylidene-3,1-benzoxazine-2,4-dione is sourced from PubChem (CID 71303010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).