(Z)-3-(4-ethylphenyl)prop-2-enenitrile

C11H11N — CID 56954563

IUPAC(Z)-3-(4-ethylphenyl)prop-2-enenitrile
SMILESCCc1ccc(/C=C\C#N)cc1
InChIInChI=1S/C11H11N/c1-2-10-5-7-11(8-6-10)4-3-9-12/h3-8H,2H2,1H3/b4-3-
InChIKeyAZQWRDUOAJRCNE-ARJAWSKDSA-N
MW157.22 g/mol
LogP2.79
Rot. Bonds2

About (Z)-3-(4-ethylphenyl)prop-2-enenitrile

(Z)-3-(4-ethylphenyl)prop-2-enenitrile (PubChem CID 56954563) has the molecular formula C11H11N and a molecular weight of 157.22 g/mol. Its IUPAC name is (Z)-3-(4-ethylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(4-ethylphenyl)prop-2-enenitrile
PubChem CID56954563
Molecular FormulaC11H11N
Molecular Weight157.22 g/mol
Exact Mass157.09
IUPAC Name(Z)-3-(4-ethylphenyl)prop-2-enenitrile
SMILESCCc1ccc(/C=C\C#N)cc1
InChIInChI=1S/C11H11N/c1-2-10-5-7-11(8-6-10)4-3-9-12/h3-8H,2H2,1H3/b4-3-
InChIKeyAZQWRDUOAJRCNE-ARJAWSKDSA-N
XLogP2.79
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.22
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-hexylphenyl)prop-2-enenitrile
CID 169484163
4-(4-ethylphenyl)but-3-enenitrile
CID 170799212
(E)-3-(1-methylpyridin-1-ium-4-yl)prop-2-enenitrile
CID 129087313
(E)-3-[4-[ethyl(methyl)amino]phenyl]prop-2-enenitrile
CID 20717137
1-ethyl-4-[(E)-2-[4-[2-[4-[(E)-2-(4-ethylphenyl)ethenyl]phenyl]ethynyl]phenyl]ethenyl]benzene
CID 59221401
3-(4-iodophenyl)prop-2-enenitrile
CID 67242782
[4-[(E)-2-cyanoethenyl]phenyl]-trimethylazanium
CID 122630790
3-[4-[5-(4-pentylphenyl)-2-pyridinyl]phenyl]prop-2-enenitrile
CID 3988526
1-butoxy-4-[(1E,5E)-6-(4-ethylphenyl)hexa-1,5-dien-3-ynyl]benzene
CID 19043960
1-ethyl-4-(2-methoxyethenyl)benzene
CID 131871300
1-ethyl-4-[4-[4-[(E)-prop-1-enyl]phenyl]phenyl]benzene
CID 176777881
(E)-3-[4-(N-phenylanilino)phenyl]prop-2-enenitrile
CID 21439549

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(4-ethylphenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-(4-ethylphenyl)prop-2-enenitrile (CID 56954563) is (Z)-3-(4-ethylphenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-(4-ethylphenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-(4-ethylphenyl)prop-2-enenitrile is CCc1ccc(/C=C\C#N)cc1.
What is the InChIKey of (Z)-3-(4-ethylphenyl)prop-2-enenitrile?
The InChIKey is AZQWRDUOAJRCNE-ARJAWSKDSA-N. The full InChI is InChI=1S/C11H11N/c1-2-10-5-7-11(8-6-10)4-3-9-12/h3-8H,2H2,1H3/b4-3-.
What are the key properties of (Z)-3-(4-ethylphenyl)prop-2-enenitrile?
(Z)-3-(4-ethylphenyl)prop-2-enenitrile has a molecular weight of 157.22 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(4-ethylphenyl)prop-2-enenitrile is sourced from PubChem (CID 56954563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).