3-[(E)-2-(furan-2-yl)ethenyl]-2-hydroxybenzonitrile

C13H9NO2 — CID 178068624

IUPAC3-[(E)-2-(furan-2-yl)ethenyl]-2-hydroxybenzonitrile
SMILESN#Cc1cccc(/C=C/c2ccco2)c1O
InChIInChI=1S/C13H9NO2/c14-9-11-4-1-3-10(13(11)15)6-7-12-5-2-8-16-12/h1-8,15H/b7-6+
InChIKeyOSYJHJHIMQKFTO-VOTSOKGWSA-N
MW211.22 g/mol
LogP3.03
Rot. Bonds2

About 3-[(E)-2-(furan-2-yl)ethenyl]-2-hydroxybenzonitrile

3-[(E)-2-(furan-2-yl)ethenyl]-2-hydroxybenzonitrile (PubChem CID 178068624) has the molecular formula C13H9NO2 and a molecular weight of 211.22 g/mol. Its IUPAC name is 3-[(E)-2-(furan-2-yl)ethenyl]-2-hydroxybenzonitrile.

Molecular Properties

Compound Name3-[(E)-2-(furan-2-yl)ethenyl]-2-hydroxybenzonitrile
PubChem CID178068624
Molecular FormulaC13H9NO2
Molecular Weight211.22 g/mol
Exact Mass211.06
IUPAC Name3-[(E)-2-(furan-2-yl)ethenyl]-2-hydroxybenzonitrile
SMILESN#Cc1cccc(/C=C/c2ccco2)c1O
InChIInChI=1S/C13H9NO2/c14-9-11-4-1-3-10(13(11)15)6-7-12-5-2-8-16-12/h1-8,15H/b7-6+
InChIKeyOSYJHJHIMQKFTO-VOTSOKGWSA-N
XLogP3.03
TPSA57.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(furan-2-yl)ethenyl]-2-hydroxybenzonitrile?
The IUPAC name of 3-[(E)-2-(furan-2-yl)ethenyl]-2-hydroxybenzonitrile (CID 178068624) is 3-[(E)-2-(furan-2-yl)ethenyl]-2-hydroxybenzonitrile.
What is the SMILES notation for 3-[(E)-2-(furan-2-yl)ethenyl]-2-hydroxybenzonitrile?
The canonical SMILES for 3-[(E)-2-(furan-2-yl)ethenyl]-2-hydroxybenzonitrile is N#Cc1cccc(/C=C/c2ccco2)c1O.
What is the InChIKey of 3-[(E)-2-(furan-2-yl)ethenyl]-2-hydroxybenzonitrile?
The InChIKey is OSYJHJHIMQKFTO-VOTSOKGWSA-N. The full InChI is InChI=1S/C13H9NO2/c14-9-11-4-1-3-10(13(11)15)6-7-12-5-2-8-16-12/h1-8,15H/b7-6+.
What are the key properties of 3-[(E)-2-(furan-2-yl)ethenyl]-2-hydroxybenzonitrile?
3-[(E)-2-(furan-2-yl)ethenyl]-2-hydroxybenzonitrile has a molecular weight of 211.22 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(furan-2-yl)ethenyl]-2-hydroxybenzonitrile is sourced from PubChem (CID 178068624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).