4-[(E)-2-(furan-2-yl)ethenyl]benzonitrile

C13H9NO — CID 12634937

IUPAC4-[(E)-2-(furan-2-yl)ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccco2)cc1
InChIInChI=1S/C13H9NO/c14-10-12-5-3-11(4-6-12)7-8-13-2-1-9-15-13/h1-9H/b8-7+
InChIKeyXTHQJCXOLSOGNV-BQYQJAHWSA-N
MW195.22 g/mol
LogP3.32
Rot. Bonds2

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

4-[(E)-2-(furan-2-yl)ethenyl]benzonitrile (PubChem CID 12634937) has the molecular formula C13H9NO and a molecular weight of 195.22 g/mol. Its IUPAC name is 4-[(E)-2-(furan-2-yl)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(E)-2-(furan-2-yl)ethenyl]benzonitrile
PubChem CID12634937
Molecular FormulaC13H9NO
Molecular Weight195.22 g/mol
Exact Mass195.07
IUPAC Name4-[(E)-2-(furan-2-yl)ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C/c2ccco2)cc1
InChIInChI=1S/C13H9NO/c14-10-12-5-3-11(4-6-12)7-8-13-2-1-9-15-13/h1-9H/b8-7+
InChIKeyXTHQJCXOLSOGNV-BQYQJAHWSA-N
XLogP3.32
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-(furan-2-yl)ethenyl]benzonitrile?
The IUPAC name of 4-[(E)-2-(furan-2-yl)ethenyl]benzonitrile (CID 12634937) is 4-[(E)-2-(furan-2-yl)ethenyl]benzonitrile.
What is the SMILES notation for 4-[(E)-2-(furan-2-yl)ethenyl]benzonitrile?
The canonical SMILES for 4-[(E)-2-(furan-2-yl)ethenyl]benzonitrile is N#Cc1ccc(/C=C/c2ccco2)cc1.
What is the InChIKey of 4-[(E)-2-(furan-2-yl)ethenyl]benzonitrile?
The InChIKey is XTHQJCXOLSOGNV-BQYQJAHWSA-N. The full InChI is InChI=1S/C13H9NO/c14-10-12-5-3-11(4-6-12)7-8-13-2-1-9-15-13/h1-9H/b8-7+.
What are the key properties of 4-[(E)-2-(furan-2-yl)ethenyl]benzonitrile?
4-[(E)-2-(furan-2-yl)ethenyl]benzonitrile has a molecular weight of 195.22 g/mol, XLogP of 3.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-(furan-2-yl)ethenyl]benzonitrile is sourced from PubChem (CID 12634937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).