5-amino-1-benzofuran-3-one

C8H7NO2 — CID 51138323

IUPAC5-amino-1-benzofuran-3-one
SMILESNc1ccc2c(c1)C(=O)CO2
InChIInChI=1S/C8H7NO2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3H,4,9H2
InChIKeyHRIKKYVARILYMF-UHFFFAOYSA-N
MW149.15 g/mol
LogP0.84
Rot. Bonds

About 5-amino-1-benzofuran-3-one

5-amino-1-benzofuran-3-one (PubChem CID 51138323) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is 5-amino-1-benzofuran-3-one.

Molecular Properties

Compound Name5-amino-1-benzofuran-3-one
PubChem CID51138323
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name5-amino-1-benzofuran-3-one
SMILESNc1ccc2c(c1)C(=O)CO2
InChIInChI=1S/C8H7NO2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3H,4,9H2
InChIKeyHRIKKYVARILYMF-UHFFFAOYSA-N
XLogP0.84
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-1-benzofuran-3-one 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 5-amino-1-benzofuran-3-one?
The IUPAC name of 5-amino-1-benzofuran-3-one (CID 51138323) is 5-amino-1-benzofuran-3-one.
What is the SMILES notation for 5-amino-1-benzofuran-3-one?
The canonical SMILES for 5-amino-1-benzofuran-3-one is Nc1ccc2c(c1)C(=O)CO2.
What is the InChIKey of 5-amino-1-benzofuran-3-one?
The InChIKey is HRIKKYVARILYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO2/c9-5-1-2-8-6(3-5)7(10)4-11-8/h1-3H,4,9H2.
What are the key properties of 5-amino-1-benzofuran-3-one?
5-amino-1-benzofuran-3-one has a molecular weight of 149.15 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-benzofuran-3-one is sourced from PubChem (CID 51138323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).