(Z)-3-(2,6-dichlorophenyl)-2-phenylprop-2-enenitrile

C15H9Cl2N — CID 5388794

IUPAC(Z)-3-(2,6-dichlorophenyl)-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H9Cl2N/c16-14-7-4-8-15(17)13(14)9-12(10-18)11-5-2-1-3-6-11/h1-9H/b12-9+
InChIKeyKJQCNVVCCLWWOT-FMIVXFBMSA-N
MW274.15 g/mol
LogP5.06
Rot. Bonds2

About (Z)-3-(2,6-dichlorophenyl)-2-phenylprop-2-enenitrile

(Z)-3-(2,6-dichlorophenyl)-2-phenylprop-2-enenitrile (PubChem CID 5388794) has the molecular formula C15H9Cl2N and a molecular weight of 274.15 g/mol. Its IUPAC name is (Z)-3-(2,6-dichlorophenyl)-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-(2,6-dichlorophenyl)-2-phenylprop-2-enenitrile
PubChem CID5388794
Molecular FormulaC15H9Cl2N
Molecular Weight274.15 g/mol
Exact Mass273.01
IUPAC Name(Z)-3-(2,6-dichlorophenyl)-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1c(Cl)cccc1Cl)c1ccccc1
InChIInChI=1S/C15H9Cl2N/c16-14-7-4-8-15(17)13(14)9-12(10-18)11-5-2-1-3-6-11/h1-9H/b12-9+
InChIKeyKJQCNVVCCLWWOT-FMIVXFBMSA-N
XLogP5.06
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.15
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-(2,6-dichlorophenyl)-2-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-(2,6-dichlorophenyl)-2-phenylprop-2-enenitrile (CID 5388794) is (Z)-3-(2,6-dichlorophenyl)-2-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-(2,6-dichlorophenyl)-2-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-(2,6-dichlorophenyl)-2-phenylprop-2-enenitrile is N#C/C(=C\c1c(Cl)cccc1Cl)c1ccccc1.
What is the InChIKey of (Z)-3-(2,6-dichlorophenyl)-2-phenylprop-2-enenitrile?
The InChIKey is KJQCNVVCCLWWOT-FMIVXFBMSA-N. The full InChI is InChI=1S/C15H9Cl2N/c16-14-7-4-8-15(17)13(14)9-12(10-18)11-5-2-1-3-6-11/h1-9H/b12-9+.
What are the key properties of (Z)-3-(2,6-dichlorophenyl)-2-phenylprop-2-enenitrile?
(Z)-3-(2,6-dichlorophenyl)-2-phenylprop-2-enenitrile has a molecular weight of 274.15 g/mol, XLogP of 5.06, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(2,6-dichlorophenyl)-2-phenylprop-2-enenitrile is sourced from PubChem (CID 5388794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).