5-amino-4-(1-benzofuran-2-ylmethyl)-1H-pyrrole-2-carbaldehyde

C14H12N2O2 — CID 82374165

IUPAC5-amino-4-(1-benzofuran-2-ylmethyl)-1H-pyrrole-2-carbaldehyde
SMILESNc1[nH]c(C=O)cc1Cc1cc2ccccc2o1
InChIInChI=1S/C14H12N2O2/c15-14-10(5-11(8-17)16-14)7-12-6-9-3-1-2-4-13(9)18-12/h1-6,8,16H,7,15H2
InChIKeyZXAMDKRLUZZPLR-UHFFFAOYSA-N
MW240.26 g/mol
LogP2.75
Rot. Bonds3

About 5-amino-4-(1-benzofuran-2-ylmethyl)-1H-pyrrole-2-carbaldehyde

5-amino-4-(1-benzofuran-2-ylmethyl)-1H-pyrrole-2-carbaldehyde (PubChem CID 82374165) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5-amino-4-(1-benzofuran-2-ylmethyl)-1H-pyrrole-2-carbaldehyde.

Molecular Properties

Compound Name5-amino-4-(1-benzofuran-2-ylmethyl)-1H-pyrrole-2-carbaldehyde
PubChem CID82374165
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name5-amino-4-(1-benzofuran-2-ylmethyl)-1H-pyrrole-2-carbaldehyde
SMILESNc1[nH]c(C=O)cc1Cc1cc2ccccc2o1
InChIInChI=1S/C14H12N2O2/c15-14-10(5-11(8-17)16-14)7-12-6-9-3-1-2-4-13(9)18-12/h1-6,8,16H,7,15H2
InChIKeyZXAMDKRLUZZPLR-UHFFFAOYSA-N
XLogP2.75
TPSA72.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-amino-4-(1-benzofuran-2-ylmethyl)-1H-pyrrole-2-carbaldehyde 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

5-amino-4-(1-benzofuran-2-ylmethyl)-1-methylpyrrole-2-carbaldehyde
CID 82374168
4-amino-5-(1-benzofuran-2-ylmethyl)furan-2-carbaldehyde
CID 82374154
1-benzofuran-2-ylmethyl formate
CID 18617223
2-[(2-methoxyphenyl)methyl]-1-benzofuran
CID 21435281
CID 156725408
CID 156725408
1-benzofuran-2-carbaldehyde;methanamine
CID 143075109
2-(1-benzofuran-2-ylmethoxymethyl)-1-benzofuran
CID 151118650
N-(2-formyl-1H-indol-5-yl)-1-benzofuran-2-carboxamide
CID 22105402
N'-(1-benzofuran-2-ylmethyl)-N,N,N'-triethylethane-1,2-diamine
CID 30734803
5-(1-benzofuran-2-ylmethyl)-1H-pyrazole-4-carboxylic acid
CID 82377950
[5-(1-benzofuran-2-ylmethyl)thiophen-2-yl]phosphonic acid
CID 11507607
N-(1-benzofuran-2-ylmethyl)-1-benzofuran-2-carboxamide
CID 86994462

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1-benzofuran-2-ylmethyl)-1H-pyrrole-2-carbaldehyde?
The IUPAC name of 5-amino-4-(1-benzofuran-2-ylmethyl)-1H-pyrrole-2-carbaldehyde (CID 82374165) is 5-amino-4-(1-benzofuran-2-ylmethyl)-1H-pyrrole-2-carbaldehyde.
What is the SMILES notation for 5-amino-4-(1-benzofuran-2-ylmethyl)-1H-pyrrole-2-carbaldehyde?
The canonical SMILES for 5-amino-4-(1-benzofuran-2-ylmethyl)-1H-pyrrole-2-carbaldehyde is Nc1[nH]c(C=O)cc1Cc1cc2ccccc2o1.
What is the InChIKey of 5-amino-4-(1-benzofuran-2-ylmethyl)-1H-pyrrole-2-carbaldehyde?
The InChIKey is ZXAMDKRLUZZPLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c15-14-10(5-11(8-17)16-14)7-12-6-9-3-1-2-4-13(9)18-12/h1-6,8,16H,7,15H2.
What are the key properties of 5-amino-4-(1-benzofuran-2-ylmethyl)-1H-pyrrole-2-carbaldehyde?
5-amino-4-(1-benzofuran-2-ylmethyl)-1H-pyrrole-2-carbaldehyde has a molecular weight of 240.26 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(1-benzofuran-2-ylmethyl)-1H-pyrrole-2-carbaldehyde is sourced from PubChem (CID 82374165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).