7-amino-1-benzofuran-6-carbaldehyde

C9H7NO2 — CID 82415505

IUPAC7-amino-1-benzofuran-6-carbaldehyde
SMILESNc1c(C=O)ccc2ccoc12
InChIInChI=1S/C9H7NO2/c10-8-7(5-11)2-1-6-3-4-12-9(6)8/h1-5H,10H2
InChIKeyARXAMFZWDRIJJY-UHFFFAOYSA-N
MW161.16 g/mol
LogP1.83
Rot. Bonds1

About 7-amino-1-benzofuran-6-carbaldehyde

7-amino-1-benzofuran-6-carbaldehyde (PubChem CID 82415505) has the molecular formula C9H7NO2 and a molecular weight of 161.16 g/mol. Its IUPAC name is 7-amino-1-benzofuran-6-carbaldehyde.

Molecular Properties

Compound Name7-amino-1-benzofuran-6-carbaldehyde
PubChem CID82415505
Molecular FormulaC9H7NO2
Molecular Weight161.16 g/mol
Exact Mass161.05
IUPAC Name7-amino-1-benzofuran-6-carbaldehyde
SMILESNc1c(C=O)ccc2ccoc12
InChIInChI=1S/C9H7NO2/c10-8-7(5-11)2-1-6-3-4-12-9(6)8/h1-5H,10H2
InChIKeyARXAMFZWDRIJJY-UHFFFAOYSA-N
XLogP1.83
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.16
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 7-amino-1-benzofuran-6-carbaldehyde 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 7-amino-1-benzofuran-6-carbaldehyde?
The IUPAC name of 7-amino-1-benzofuran-6-carbaldehyde (CID 82415505) is 7-amino-1-benzofuran-6-carbaldehyde.
What is the SMILES notation for 7-amino-1-benzofuran-6-carbaldehyde?
The canonical SMILES for 7-amino-1-benzofuran-6-carbaldehyde is Nc1c(C=O)ccc2ccoc12.
What is the InChIKey of 7-amino-1-benzofuran-6-carbaldehyde?
The InChIKey is ARXAMFZWDRIJJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2/c10-8-7(5-11)2-1-6-3-4-12-9(6)8/h1-5H,10H2.
What are the key properties of 7-amino-1-benzofuran-6-carbaldehyde?
7-amino-1-benzofuran-6-carbaldehyde has a molecular weight of 161.16 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-1-benzofuran-6-carbaldehyde is sourced from PubChem (CID 82415505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).