4-[(Z)-5-hydroxypent-2-en-3-yl]benzonitrile

C12H13NO — CID 101125780

IUPAC4-[(Z)-5-hydroxypent-2-en-3-yl]benzonitrile
SMILESC/C=C(/CCO)c1ccc(C#N)cc1
InChIInChI=1S/C12H13NO/c1-2-11(7-8-14)12-5-3-10(9-13)4-6-12/h2-6,14H,7-8H2,1H3/b11-2-
InChIKeyAMRHLQKBRNKONV-FUQNDXKWSA-N
MW187.24 g/mol
LogP2.34
Rot. Bonds3

About 4-[(Z)-5-hydroxypent-2-en-3-yl]benzonitrile

4-[(Z)-5-hydroxypent-2-en-3-yl]benzonitrile (PubChem CID 101125780) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-[(Z)-5-hydroxypent-2-en-3-yl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-5-hydroxypent-2-en-3-yl]benzonitrile
PubChem CID101125780
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4-[(Z)-5-hydroxypent-2-en-3-yl]benzonitrile
SMILESC/C=C(/CCO)c1ccc(C#N)cc1
InChIInChI=1S/C12H13NO/c1-2-11(7-8-14)12-5-3-10(9-13)4-6-12/h2-6,14H,7-8H2,1H3/b11-2-
InChIKeyAMRHLQKBRNKONV-FUQNDXKWSA-N
XLogP2.34
TPSA44.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[(E)-dec-5-en-5-yl]benzonitrile
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CID 122403774
azane;benzene-1,4-dicarbonitrile
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4-[2-(ethylideneamino)acetyl]benzonitrile
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4-(2-hydroxyethyl)benzonitrile
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4-[12-(4-cyanophenyl)-12-oxododecanoyl]benzonitrile
CID 143092432
4-[1,2-dichloro-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 139674424
2-(4-cyanophenyl)ethene-1,1,2-tricarbonitrile
CID 121012832
ethanol;4-[2,3,4,5,6-pentakis(4-cyanophenyl)phenyl]benzonitrile
CID 139144298
4-[2-hydroxyethyl(methyl)amino]benzonitrile
CID 10261613
4-[(E)-but-2-enoxy]benzonitrile
CID 24709745

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-5-hydroxypent-2-en-3-yl]benzonitrile?
The IUPAC name of 4-[(Z)-5-hydroxypent-2-en-3-yl]benzonitrile (CID 101125780) is 4-[(Z)-5-hydroxypent-2-en-3-yl]benzonitrile.
What is the SMILES notation for 4-[(Z)-5-hydroxypent-2-en-3-yl]benzonitrile?
The canonical SMILES for 4-[(Z)-5-hydroxypent-2-en-3-yl]benzonitrile is C/C=C(/CCO)c1ccc(C#N)cc1.
What is the InChIKey of 4-[(Z)-5-hydroxypent-2-en-3-yl]benzonitrile?
The InChIKey is AMRHLQKBRNKONV-FUQNDXKWSA-N. The full InChI is InChI=1S/C12H13NO/c1-2-11(7-8-14)12-5-3-10(9-13)4-6-12/h2-6,14H,7-8H2,1H3/b11-2-.
What are the key properties of 4-[(Z)-5-hydroxypent-2-en-3-yl]benzonitrile?
4-[(Z)-5-hydroxypent-2-en-3-yl]benzonitrile has a molecular weight of 187.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-5-hydroxypent-2-en-3-yl]benzonitrile is sourced from PubChem (CID 101125780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).