(Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]phenyl]-2-methylprop-2-enenitrile

C14H12N2 — CID 70973413

IUPAC(Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]phenyl]-2-methylprop-2-enenitrile
SMILESC/C(C#N)=C/c1ccc(/C=C(/C)C#N)cc1
InChIInChI=1S/C14H12N2/c1-11(9-15)7-13-3-5-14(6-4-13)8-12(2)10-16/h3-8H,1-2H3/b11-7-,12-8-
InChIKeyWKGYWGFOHSWVDI-OXAWKVHCSA-N
MW208.26 g/mol
LogP3.54
Rot. Bonds2

About (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]phenyl]-2-methylprop-2-enenitrile

(Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]phenyl]-2-methylprop-2-enenitrile (PubChem CID 70973413) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]phenyl]-2-methylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]phenyl]-2-methylprop-2-enenitrile
PubChem CID70973413
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name(Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]phenyl]-2-methylprop-2-enenitrile
SMILESC/C(C#N)=C/c1ccc(/C=C(/C)C#N)cc1
InChIInChI=1S/C14H12N2/c1-11(9-15)7-13-3-5-14(6-4-13)8-12(2)10-16/h3-8H,1-2H3/b11-7-,12-8-
InChIKeyWKGYWGFOHSWVDI-OXAWKVHCSA-N
XLogP3.54
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]phenyl]-2-methylprop-2-enenitrile?
The IUPAC name of (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]phenyl]-2-methylprop-2-enenitrile (CID 70973413) is (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]phenyl]-2-methylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]phenyl]-2-methylprop-2-enenitrile?
The canonical SMILES for (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]phenyl]-2-methylprop-2-enenitrile is C/C(C#N)=C/c1ccc(/C=C(/C)C#N)cc1.
What is the InChIKey of (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]phenyl]-2-methylprop-2-enenitrile?
The InChIKey is WKGYWGFOHSWVDI-OXAWKVHCSA-N. The full InChI is InChI=1S/C14H12N2/c1-11(9-15)7-13-3-5-14(6-4-13)8-12(2)10-16/h3-8H,1-2H3/b11-7-,12-8-.
What are the key properties of (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]phenyl]-2-methylprop-2-enenitrile?
(Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]phenyl]-2-methylprop-2-enenitrile has a molecular weight of 208.26 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[4-[(Z)-2-cyanoprop-1-enyl]phenyl]-2-methylprop-2-enenitrile is sourced from PubChem (CID 70973413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).