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

C15H10IN — CID 66772066

IUPAC4-[(E)-2-(2-iodophenyl)ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccccc2I)cc1
InChIInChI=1S/C15H10IN/c16-15-4-2-1-3-14(15)10-9-12-5-7-13(11-17)8-6-12/h1-10H/b10-9+
InChIKeyJFJPAKVGTUPDRV-MDZDMXLPSA-N
MW331.16 g/mol
LogP4.33
Rot. Bonds2

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

4-[(E)-2-(2-iodophenyl)ethenyl]benzonitrile (PubChem CID 66772066) has the molecular formula C15H10IN and a molecular weight of 331.16 g/mol. Its IUPAC name is 4-[(E)-2-(2-iodophenyl)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-(2-iodophenyl)ethenyl]benzonitrile
PubChem CID66772066
Molecular FormulaC15H10IN
Molecular Weight331.16 g/mol
Exact Mass330.99
IUPAC Name4-[(E)-2-(2-iodophenyl)ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccccc2I)cc1
InChIInChI=1S/C15H10IN/c16-15-4-2-1-3-14(15)10-9-12-5-7-13(11-17)8-6-12/h1-10H/b10-9+
InChIKeyJFJPAKVGTUPDRV-MDZDMXLPSA-N
XLogP4.33
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.16
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', '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-(2-iodophenyl)ethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-(2-iodophenyl)ethenyl]benzonitrile (CID 66772066) is 4-[(E)-2-(2-iodophenyl)ethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-(2-iodophenyl)ethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-(2-iodophenyl)ethenyl]benzonitrile is N#Cc1ccc(/C=C/c2ccccc2I)cc1.
What is the InChIKey of 4-[(E)-2-(2-iodophenyl)ethenyl]benzonitrile?
The InChIKey is JFJPAKVGTUPDRV-MDZDMXLPSA-N. The full InChI is InChI=1S/C15H10IN/c16-15-4-2-1-3-14(15)10-9-12-5-7-13(11-17)8-6-12/h1-10H/b10-9+.
What are the key properties of 4-[(E)-2-(2-iodophenyl)ethenyl]benzonitrile?
4-[(E)-2-(2-iodophenyl)ethenyl]benzonitrile has a molecular weight of 331.16 g/mol, XLogP of 4.33, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(2-iodophenyl)ethenyl]benzonitrile is sourced from PubChem (CID 66772066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).