2-(2,4-dichlorophenyl)-2-prop-2-enylpent-4-enenitrile

C14H13Cl2N — CID 117060904

IUPAC2-(2,4-dichlorophenyl)-2-prop-2-enylpent-4-enenitrile
SMILESC=CCC(C#N)(CC=C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N/c1-3-7-14(10-17,8-4-2)12-6-5-11(15)9-13(12)16/h3-6,9H,1-2,7-8H2
InChIKeyWZYCHZUGPOMDCU-UHFFFAOYSA-N
MW266.17 g/mol
LogP4.91
Rot. Bonds5

About 2-(2,4-dichlorophenyl)-2-prop-2-enylpent-4-enenitrile

2-(2,4-dichlorophenyl)-2-prop-2-enylpent-4-enenitrile (PubChem CID 117060904) has the molecular formula C14H13Cl2N and a molecular weight of 266.17 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-2-prop-2-enylpent-4-enenitrile.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-2-prop-2-enylpent-4-enenitrile
PubChem CID117060904
Molecular FormulaC14H13Cl2N
Molecular Weight266.17 g/mol
Exact Mass265.04
IUPAC Name2-(2,4-dichlorophenyl)-2-prop-2-enylpent-4-enenitrile
SMILESC=CCC(C#N)(CC=C)c1ccc(Cl)cc1Cl
InChIInChI=1S/C14H13Cl2N/c1-3-7-14(10-17,8-4-2)12-6-5-11(15)9-13(12)16/h3-6,9H,1-2,7-8H2
InChIKeyWZYCHZUGPOMDCU-UHFFFAOYSA-N
XLogP4.91
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-2-prop-2-enylpent-4-enenitrile?
The IUPAC name of 2-(2,4-dichlorophenyl)-2-prop-2-enylpent-4-enenitrile (CID 117060904) is 2-(2,4-dichlorophenyl)-2-prop-2-enylpent-4-enenitrile.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-2-prop-2-enylpent-4-enenitrile?
The canonical SMILES for 2-(2,4-dichlorophenyl)-2-prop-2-enylpent-4-enenitrile is C=CCC(C#N)(CC=C)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-2-prop-2-enylpent-4-enenitrile?
The InChIKey is WZYCHZUGPOMDCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N/c1-3-7-14(10-17,8-4-2)12-6-5-11(15)9-13(12)16/h3-6,9H,1-2,7-8H2.
What are the key properties of 2-(2,4-dichlorophenyl)-2-prop-2-enylpent-4-enenitrile?
2-(2,4-dichlorophenyl)-2-prop-2-enylpent-4-enenitrile has a molecular weight of 266.17 g/mol, XLogP of 4.91, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-2-prop-2-enylpent-4-enenitrile is sourced from PubChem (CID 117060904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).