2-benzofuran-1,3-dione;1H-indole

C16H11NO3 — CID 174431575

IUPAC2-benzofuran-1,3-dione;1H-indole
SMILESO=C1OC(=O)c2ccccc21.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C8H4O3/c1-2-4-8-7(3-1)5-6-9-8;9-7-5-3-1-2-4-6(5)8(10)11-7/h1-6,9H;1-4H
InChIKeyCKQCIRNYXMMWKS-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.17
Rot. Bonds

About 2-benzofuran-1,3-dione;1H-indole

2-benzofuran-1,3-dione;1H-indole (PubChem CID 174431575) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2-benzofuran-1,3-dione;1H-indole.

Molecular Properties

Compound Name2-benzofuran-1,3-dione;1H-indole
PubChem CID174431575
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name2-benzofuran-1,3-dione;1H-indole
SMILESO=C1OC(=O)c2ccccc21.c1ccc2[nH]ccc2c1
InChIInChI=1S/C8H7N.C8H4O3/c1-2-4-8-7(3-1)5-6-9-8;9-7-5-3-1-2-4-6(5)8(10)11-7/h1-6,9H;1-4H
InChIKeyCKQCIRNYXMMWKS-UHFFFAOYSA-N
XLogP3.17
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-benzofuran-1,3-dione;1H-indole 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 2-benzofuran-1,3-dione;1H-indole?
The IUPAC name of 2-benzofuran-1,3-dione;1H-indole (CID 174431575) is 2-benzofuran-1,3-dione;1H-indole.
What is the SMILES notation for 2-benzofuran-1,3-dione;1H-indole?
The canonical SMILES for 2-benzofuran-1,3-dione;1H-indole is O=C1OC(=O)c2ccccc21.c1ccc2[nH]ccc2c1.
What is the InChIKey of 2-benzofuran-1,3-dione;1H-indole?
The InChIKey is CKQCIRNYXMMWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C8H4O3/c1-2-4-8-7(3-1)5-6-9-8;9-7-5-3-1-2-4-6(5)8(10)11-7/h1-6,9H;1-4H.
What are the key properties of 2-benzofuran-1,3-dione;1H-indole?
2-benzofuran-1,3-dione;1H-indole has a molecular weight of 265.27 g/mol, XLogP of 3.17, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzofuran-1,3-dione;1H-indole is sourced from PubChem (CID 174431575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).