1-benzofuran-2-carbaldehyde;methanamine

C10H11NO2 — CID 143075109

IUPAC1-benzofuran-2-carbaldehyde;methanamine
SMILESCN.O=Cc1cc2ccccc2o1
InChIInChI=1S/C9H6O2.CH5N/c10-6-8-5-7-3-1-2-4-9(7)11-8;1-2/h1-6H;2H2,1H3
InChIKeyHWQASIFWNXEILC-UHFFFAOYSA-N
MW177.20 g/mol
LogP1.82
Rot. Bonds1

About 1-benzofuran-2-carbaldehyde;methanamine

1-benzofuran-2-carbaldehyde;methanamine (PubChem CID 143075109) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is 1-benzofuran-2-carbaldehyde;methanamine.

Molecular Properties

Compound Name1-benzofuran-2-carbaldehyde;methanamine
PubChem CID143075109
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name1-benzofuran-2-carbaldehyde;methanamine
SMILESCN.O=Cc1cc2ccccc2o1
InChIInChI=1S/C9H6O2.CH5N/c10-6-8-5-7-3-1-2-4-9(7)11-8;1-2/h1-6H;2H2,1H3
InChIKeyHWQASIFWNXEILC-UHFFFAOYSA-N
XLogP1.82
TPSA56.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzofuran-2-carbaldehyde;methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-ethenyl-1-benzofuran
CID 588974
4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde
CID 82374154
1-benzofuran-2,5-dicarbaldehyde
CID 18349269
5-fluoro-1-benzofuran-2-carbaldehyde
CID 10844747
methyl 3-(1-benzofuran-2-yl)prop-2-enoate
CID 1479261
(E)-3-(1-benzofuran-2-yl)-2-methylprop-2-enenitrile
CID 18339198
2-(3-bromo-2-methylprop-1-enyl)-1-benzofuran
CID 79322987
7-methyl-1-benzofuran-2-carbaldehyde
CID 10511153
(NE,R)-N-(1-benzofuran-2-ylmethylidene)-2-methylpropane-2-sulfinamide
CID 155662884
N-[(E)-1-benzofuran-2-ylmethylideneamino]-N-methylmethanamine;N,N-dimethylmethanamine;ethane
CID 172921772
1-(1-benzofuran-2-yl)-N-phenylmethanimine
CID 102313408
1-(1-benzofuran-2-yl)ethanone
CID 15435

Frequently Asked Questions

What is the IUPAC name of 1-benzofuran-2-carbaldehyde;methanamine?
The IUPAC name of 1-benzofuran-2-carbaldehyde;methanamine (CID 143075109) is 1-benzofuran-2-carbaldehyde;methanamine.
What is the SMILES notation for 1-benzofuran-2-carbaldehyde;methanamine?
The canonical SMILES for 1-benzofuran-2-carbaldehyde;methanamine is CN.O=Cc1cc2ccccc2o1.
What is the InChIKey of 1-benzofuran-2-carbaldehyde;methanamine?
The InChIKey is HWQASIFWNXEILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6O2.CH5N/c10-6-8-5-7-3-1-2-4-9(7)11-8;1-2/h1-6H;2H2,1H3.
What are the key properties of 1-benzofuran-2-carbaldehyde;methanamine?
1-benzofuran-2-carbaldehyde;methanamine has a molecular weight of 177.20 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzofuran-2-carbaldehyde;methanamine is sourced from PubChem (CID 143075109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).