3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid

C10H9NO4 — CID 115096140

IUPAC3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid
SMILESCC1Nc2ccc(C(=O)O)cc2OC1=O
InChIInChI=1S/C10H9NO4/c1-5-10(14)15-8-4-6(9(12)13)2-3-7(8)11-5/h2-5,11H,1H3,(H,12,13)
InChIKeyUXNRGOFWUSNTAU-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.10
Rot. Bonds1

About 3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid

3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid (PubChem CID 115096140) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid.

Molecular Properties

Compound Name3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid
PubChem CID115096140
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid
SMILESCC1Nc2ccc(C(=O)O)cc2OC1=O
InChIInChI=1S/C10H9NO4/c1-5-10(14)15-8-4-6(9(12)13)2-3-7(8)11-5/h2-5,11H,1H3,(H,12,13)
InChIKeyUXNRGOFWUSNTAU-UHFFFAOYSA-N
XLogP1.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid?
The IUPAC name of 3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid (CID 115096140) is 3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid.
What is the SMILES notation for 3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid?
The canonical SMILES for 3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid is CC1Nc2ccc(C(=O)O)cc2OC1=O.
What is the InChIKey of 3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid?
The InChIKey is UXNRGOFWUSNTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-5-10(14)15-8-4-6(9(12)13)2-3-7(8)11-5/h2-5,11H,1H3,(H,12,13).
What are the key properties of 3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid?
3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-oxo-3,4-dihydro-1,4-benzoxazine-7-carboxylic acid is sourced from PubChem (CID 115096140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).