4-[2-[5-(2-aminophenyl)furan-2-yl]ethenyl]benzonitrile

C19H14N2O — CID 71389508

IUPAC4-[2-[5-(2-aminophenyl)furan-2-yl]ethenyl]benzonitrile
SMILESN#Cc1ccc(C=Cc2ccc(-c3ccccc3N)o2)cc1
InChIInChI=1S/C19H14N2O/c20-13-15-7-5-14(6-8-15)9-10-16-11-12-19(22-16)17-3-1-2-4-18(17)21/h1-12H,21H2
InChIKeyHPVXZYZLDMVDCP-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.57
Rot. Bonds3

About 4-[2-[5-(2-aminophenyl)furan-2-yl]ethenyl]benzonitrile

4-[2-[5-(2-aminophenyl)furan-2-yl]ethenyl]benzonitrile (PubChem CID 71389508) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 4-[2-[5-(2-aminophenyl)furan-2-yl]ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[2-[5-(2-aminophenyl)furan-2-yl]ethenyl]benzonitrile
PubChem CID71389508
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name4-[2-[5-(2-aminophenyl)furan-2-yl]ethenyl]benzonitrile
SMILESN#Cc1ccc(C=Cc2ccc(-c3ccccc3N)o2)cc1
InChIInChI=1S/C19H14N2O/c20-13-15-7-5-14(6-8-15)9-10-16-11-12-19(22-16)17-3-1-2-4-18(17)21/h1-12H,21H2
InChIKeyHPVXZYZLDMVDCP-UHFFFAOYSA-N
XLogP4.57
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-[2-[5-(2-aminophenyl)furan-2-yl]ethenyl]benzonitrile 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 4-[2-[5-(2-aminophenyl)furan-2-yl]ethenyl]benzonitrile?
The IUPAC name of 4-[2-[5-(2-aminophenyl)furan-2-yl]ethenyl]benzonitrile (CID 71389508) is 4-[2-[5-(2-aminophenyl)furan-2-yl]ethenyl]benzonitrile.
What is the SMILES notation for 4-[2-[5-(2-aminophenyl)furan-2-yl]ethenyl]benzonitrile?
The canonical SMILES for 4-[2-[5-(2-aminophenyl)furan-2-yl]ethenyl]benzonitrile is N#Cc1ccc(C=Cc2ccc(-c3ccccc3N)o2)cc1.
What is the InChIKey of 4-[2-[5-(2-aminophenyl)furan-2-yl]ethenyl]benzonitrile?
The InChIKey is HPVXZYZLDMVDCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c20-13-15-7-5-14(6-8-15)9-10-16-11-12-19(22-16)17-3-1-2-4-18(17)21/h1-12H,21H2.
What are the key properties of 4-[2-[5-(2-aminophenyl)furan-2-yl]ethenyl]benzonitrile?
4-[2-[5-(2-aminophenyl)furan-2-yl]ethenyl]benzonitrile has a molecular weight of 286.33 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[5-(2-aminophenyl)furan-2-yl]ethenyl]benzonitrile is sourced from PubChem (CID 71389508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).