(2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile

C13H11N — CID 12034343

IUPAC(2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile
SMILESC=C/C(C#N)=C/C=C/c1ccccc1
InChIInChI=1S/C13H11N/c1-2-12(11-14)9-6-10-13-7-4-3-5-8-13/h2-10H,1H2/b10-6+,12-9-
InChIKeyVEHAOWVVSNZBIY-CQJQESKGSA-N
MW181.24 g/mol
LogP3.34
Rot. Bonds3

About (2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile

(2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile (PubChem CID 12034343) has the molecular formula C13H11N and a molecular weight of 181.24 g/mol. Its IUPAC name is (2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile.

Molecular Properties

Compound Name(2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile
PubChem CID12034343
Molecular FormulaC13H11N
Molecular Weight181.24 g/mol
Exact Mass181.09
IUPAC Name(2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile
SMILESC=C/C(C#N)=C/C=C/c1ccccc1
InChIInChI=1S/C13H11N/c1-2-12(11-14)9-6-10-13-7-4-3-5-8-13/h2-10H,1H2/b10-6+,12-9-
InChIKeyVEHAOWVVSNZBIY-CQJQESKGSA-N
XLogP3.34
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Toluene
CID 1140
Alpha-Methylstyrene
CID 7407
Ethylbenzene
CID 7500
Styrene
CID 7501
Benzonitrile
CID 7505
Butylbenzene
CID 7705
Propylbenzene
CID 7668
Phenylacetonitrile
CID 8794
Isophthalonitrile
CID 12276
trans-beta-METHYLSTYRENE
CID 252325
Allylbenzene
CID 9309
Phthalonitrile
CID 7042

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile?
The IUPAC name of (2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile (CID 12034343) is (2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile.
What is the SMILES notation for (2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile?
The canonical SMILES for (2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile is C=C/C(C#N)=C/C=C/c1ccccc1.
What is the InChIKey of (2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile?
The InChIKey is VEHAOWVVSNZBIY-CQJQESKGSA-N. The full InChI is InChI=1S/C13H11N/c1-2-12(11-14)9-6-10-13-7-4-3-5-8-13/h2-10H,1H2/b10-6+,12-9-.
What are the key properties of (2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile?
(2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile has a molecular weight of 181.24 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2-ethenyl-5-phenylpenta-2,4-dienenitrile is sourced from PubChem (CID 12034343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).