4-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile

C15H12N2 — CID 6440319

IUPAC4-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C15H12N2/c16-11-14-5-3-12(4-6-14)1-2-13-7-9-15(17)10-8-13/h1-10H,17H2/b2-1+
InChIKeyPBKCXBOIOVKRJK-OWOJBTEDSA-N
MW220.27 g/mol
LogP3.31
Rot. Bonds2

About 4-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile

4-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile (PubChem CID 6440319) has the molecular formula C15H12N2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 4-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile
PubChem CID6440319
Molecular FormulaC15H12N2
Molecular Weight220.27 g/mol
Exact Mass220.10
IUPAC Name4-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccc(N)cc2)cc1
InChIInChI=1S/C15H12N2/c16-11-14-5-3-12(4-6-14)1-2-13-7-9-15(17)10-8-13/h1-10H,17H2/b2-1+
InChIKeyPBKCXBOIOVKRJK-OWOJBTEDSA-N
XLogP3.31
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile (CID 6440319) is 4-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile is N#Cc1ccc(/C=C/c2ccc(N)cc2)cc1.
What is the InChIKey of 4-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile?
The InChIKey is PBKCXBOIOVKRJK-OWOJBTEDSA-N. The full InChI is InChI=1S/C15H12N2/c16-11-14-5-3-12(4-6-14)1-2-13-7-9-15(17)10-8-13/h1-10H,17H2/b2-1+.
What are the key properties of 4-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile?
4-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile has a molecular weight of 220.27 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(4-aminophenyl)ethenyl]benzonitrile is sourced from PubChem (CID 6440319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).