2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid

C10H9NO4 — CID 50987804

IUPAC2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid
SMILESCC1Oc2c(cccc2C(=O)O)NC1=O
InChIInChI=1S/C10H9NO4/c1-5-9(12)11-7-4-2-3-6(10(13)14)8(7)15-5/h2-5H,1H3,(H,11,12)(H,13,14)
InChIKeyCJWMPXSPYXEIOE-UHFFFAOYSA-N
MW207.19 g/mol
LogP1.10
Rot. Bonds1

About 2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid

2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid (PubChem CID 50987804) has the molecular formula C10H9NO4 and a molecular weight of 207.19 g/mol. Its IUPAC name is 2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid.

Molecular Properties

Compound Name2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid
PubChem CID50987804
Molecular FormulaC10H9NO4
Molecular Weight207.19 g/mol
Exact Mass207.05
IUPAC Name2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid
SMILESCC1Oc2c(cccc2C(=O)O)NC1=O
InChIInChI=1S/C10H9NO4/c1-5-9(12)11-7-4-2-3-6(10(13)14)8(7)15-5/h2-5H,1H3,(H,11,12)(H,13,14)
InChIKeyCJWMPXSPYXEIOE-UHFFFAOYSA-N
XLogP1.10
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
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 ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid?
The IUPAC name of 2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid (CID 50987804) is 2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid.
What is the SMILES notation for 2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid?
The canonical SMILES for 2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid is CC1Oc2c(cccc2C(=O)O)NC1=O.
What is the InChIKey of 2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid?
The InChIKey is CJWMPXSPYXEIOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO4/c1-5-9(12)11-7-4-2-3-6(10(13)14)8(7)15-5/h2-5H,1H3,(H,11,12)(H,13,14).
What are the key properties of 2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid?
2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid has a molecular weight of 207.19 g/mol, XLogP of 1.10, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-oxo-4H-1,4-benzoxazine-8-carboxylic acid is sourced from PubChem (CID 50987804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).