4-[2-(oxan-4-yl)ethenyl]benzonitrile

C14H15NO — CID 175589033

IUPAC4-[2-(oxan-4-yl)ethenyl]benzonitrile
SMILESN#Cc1ccc(C=CC2CCOCC2)cc1
InChIInChI=1S/C14H15NO/c15-11-14-5-3-12(4-6-14)1-2-13-7-9-16-10-8-13/h1-6,13H,7-10H2
InChIKeyFNGXTVOGDJXUDA-UHFFFAOYSA-N
MW213.28 g/mol
LogP3.00
Rot. Bonds2

About 4-[2-(oxan-4-yl)ethenyl]benzonitrile

4-[2-(oxan-4-yl)ethenyl]benzonitrile (PubChem CID 175589033) has the molecular formula C14H15NO and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-[2-(oxan-4-yl)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[2-(oxan-4-yl)ethenyl]benzonitrile
PubChem CID175589033
Molecular FormulaC14H15NO
Molecular Weight213.28 g/mol
Exact Mass213.12
IUPAC Name4-[2-(oxan-4-yl)ethenyl]benzonitrile
SMILESN#Cc1ccc(C=CC2CCOCC2)cc1
InChIInChI=1S/C14H15NO/c15-11-14-5-3-12(4-6-14)1-2-13-7-9-16-10-8-13/h1-6,13H,7-10H2
InChIKeyFNGXTVOGDJXUDA-UHFFFAOYSA-N
XLogP3.00
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxan-4-yl)ethenyl]benzonitrile?
The IUPAC name of 4-[2-(oxan-4-yl)ethenyl]benzonitrile (CID 175589033) is 4-[2-(oxan-4-yl)ethenyl]benzonitrile.
What is the SMILES notation for 4-[2-(oxan-4-yl)ethenyl]benzonitrile?
The canonical SMILES for 4-[2-(oxan-4-yl)ethenyl]benzonitrile is N#Cc1ccc(C=CC2CCOCC2)cc1.
What is the InChIKey of 4-[2-(oxan-4-yl)ethenyl]benzonitrile?
The InChIKey is FNGXTVOGDJXUDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO/c15-11-14-5-3-12(4-6-14)1-2-13-7-9-16-10-8-13/h1-6,13H,7-10H2.
What are the key properties of 4-[2-(oxan-4-yl)ethenyl]benzonitrile?
4-[2-(oxan-4-yl)ethenyl]benzonitrile has a molecular weight of 213.28 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxan-4-yl)ethenyl]benzonitrile is sourced from PubChem (CID 175589033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).