3-aminobenzo[g][1]benzofuran-2-carboxylic acid

C13H9NO3 — CID 174973228

IUPAC3-aminobenzo[g][1]benzofuran-2-carboxylic acid
SMILESNc1c(C(=O)O)oc2c1ccc1ccccc12
InChIInChI=1S/C13H9NO3/c14-10-9-6-5-7-3-1-2-4-8(7)11(9)17-12(10)13(15)16/h1-6H,14H2,(H,15,16)
InChIKeyGUVWYWHSCHEEIH-UHFFFAOYSA-N
MW227.22 g/mol
LogP2.87
Rot. Bonds1

About 3-aminobenzo[g][1]benzofuran-2-carboxylic acid

3-aminobenzo[g][1]benzofuran-2-carboxylic acid (PubChem CID 174973228) has the molecular formula C13H9NO3 and a molecular weight of 227.22 g/mol. Its IUPAC name is 3-aminobenzo[g][1]benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name3-aminobenzo[g][1]benzofuran-2-carboxylic acid
PubChem CID174973228
Molecular FormulaC13H9NO3
Molecular Weight227.22 g/mol
Exact Mass227.06
IUPAC Name3-aminobenzo[g][1]benzofuran-2-carboxylic acid
SMILESNc1c(C(=O)O)oc2c1ccc1ccccc12
InChIInChI=1S/C13H9NO3/c14-10-9-6-5-7-3-1-2-4-8(7)11(9)17-12(10)13(15)16/h1-6H,14H2,(H,15,16)
InChIKeyGUVWYWHSCHEEIH-UHFFFAOYSA-N
XLogP2.87
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-aminobenzo[g][1]benzofuran-2-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-aminobenzo[g][1]benzofuran-2-carboxylic acid?
The IUPAC name of 3-aminobenzo[g][1]benzofuran-2-carboxylic acid (CID 174973228) is 3-aminobenzo[g][1]benzofuran-2-carboxylic acid.
What is the SMILES notation for 3-aminobenzo[g][1]benzofuran-2-carboxylic acid?
The canonical SMILES for 3-aminobenzo[g][1]benzofuran-2-carboxylic acid is Nc1c(C(=O)O)oc2c1ccc1ccccc12.
What is the InChIKey of 3-aminobenzo[g][1]benzofuran-2-carboxylic acid?
The InChIKey is GUVWYWHSCHEEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9NO3/c14-10-9-6-5-7-3-1-2-4-8(7)11(9)17-12(10)13(15)16/h1-6H,14H2,(H,15,16).
What are the key properties of 3-aminobenzo[g][1]benzofuran-2-carboxylic acid?
3-aminobenzo[g][1]benzofuran-2-carboxylic acid has a molecular weight of 227.22 g/mol, XLogP of 2.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobenzo[g][1]benzofuran-2-carboxylic acid is sourced from PubChem (CID 174973228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).