4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile

C16H10N2 — CID 10857270

IUPAC4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C\c2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H10N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h1-10H/b2-1-
InChIKeyRNIZPDIBRXCMRD-UPHRSURJSA-N
MW230.27 g/mol
LogP3.60
Rot. Bonds2

About 4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile

4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile (PubChem CID 10857270) has the molecular formula C16H10N2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile.

Molecular Properties

Compound Name4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
PubChem CID10857270
Molecular FormulaC16H10N2
Molecular Weight230.27 g/mol
Exact Mass230.08
IUPAC Name4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile
SMILESN#Cc1ccc(/C=C\c2ccc(C#N)cc2)cc1
InChIInChI=1S/C16H10N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h1-10H/b2-1-
InChIKeyRNIZPDIBRXCMRD-UPHRSURJSA-N
XLogP3.60
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[(E)-2-[4-(4-cyanoanilino)phenyl]ethenyl]benzonitrile
CID 101467306
4-prop-1-enylbenzonitrile
CID 68719840
4-[(E)-2-[3,5-bis[(E)-2-(4-bromophenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 102018905
4-[(E)-2-(dimethylamino)ethenyl]benzonitrile
CID 75481575
4-[2-(4-cyanophenyl)ethenyl]benzoic acid
CID 70535235
4-[(E)-2-[2,3-bis[(E)-2-(4-cyanophenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 100941725
azane;benzene-1,4-dicarbonitrile
CID 174336566
4-[(E)-2-[4-[methyl-bis(trimethylsilyl)silyl]phenyl]ethenyl]benzonitrile
CID 10644308
4-[(E)-3,3,3-trifluoroprop-1-enyl]benzonitrile
CID 10987201
3-amino-4-[(E)-2-(4-cyanophenyl)ethenyl]benzonitrile
CID 5372722
4-[(E)-2-[3,5-bis[(E)-2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]benzonitrile
CID 10895981
4-[(E)-2-(2-iodophenyl)ethenyl]benzonitrile
CID 66772066

Frequently Asked Questions

What is the IUPAC name of 4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile?
The IUPAC name of 4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile (CID 10857270) is 4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile.
What is the SMILES notation for 4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile?
The canonical SMILES for 4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile is N#Cc1ccc(/C=C\c2ccc(C#N)cc2)cc1.
What is the InChIKey of 4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile?
The InChIKey is RNIZPDIBRXCMRD-UPHRSURJSA-N. The full InChI is InChI=1S/C16H10N2/c17-11-15-7-3-13(4-8-15)1-2-14-5-9-16(12-18)10-6-14/h1-10H/b2-1-.
What are the key properties of 4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile?
4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile has a molecular weight of 230.27 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-(4-cyanophenyl)ethenyl]benzonitrile is sourced from PubChem (CID 10857270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).