(Z)-2-(4-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile

C19H12ClN — CID 698328

IUPAC(Z)-2-(4-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile
SMILESN#C/C(=C\c1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H12ClN/c20-18-10-8-14(9-11-18)17(13-21)12-16-6-3-5-15-4-1-2-7-19(15)16/h1-12H/b17-12+
InChIKeyFVYQZSOKZIVXHI-SFQUDFHCSA-N
MW289.77 g/mol
LogP5.56
Rot. Bonds2

About (Z)-2-(4-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile

(Z)-2-(4-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile (PubChem CID 698328) has the molecular formula C19H12ClN and a molecular weight of 289.77 g/mol. Its IUPAC name is (Z)-2-(4-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(4-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile
PubChem CID698328
Molecular FormulaC19H12ClN
Molecular Weight289.77 g/mol
Exact Mass289.07
IUPAC Name(Z)-2-(4-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile
SMILESN#C/C(=C\c1cccc2ccccc12)c1ccc(Cl)cc1
InChIInChI=1S/C19H12ClN/c20-18-10-8-14(9-11-18)17(13-21)12-16-6-3-5-15-4-1-2-7-19(15)16/h1-12H/b17-12+
InChIKeyFVYQZSOKZIVXHI-SFQUDFHCSA-N
XLogP5.56
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.77
LogP ≤ 55.56
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)-2-(4-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile?
The IUPAC name of (Z)-2-(4-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile (CID 698328) is (Z)-2-(4-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile.
What is the SMILES notation for (Z)-2-(4-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile?
The canonical SMILES for (Z)-2-(4-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile is N#C/C(=C\c1cccc2ccccc12)c1ccc(Cl)cc1.
What is the InChIKey of (Z)-2-(4-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile?
The InChIKey is FVYQZSOKZIVXHI-SFQUDFHCSA-N. The full InChI is InChI=1S/C19H12ClN/c20-18-10-8-14(9-11-18)17(13-21)12-16-6-3-5-15-4-1-2-7-19(15)16/h1-12H/b17-12+.
What are the key properties of (Z)-2-(4-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile?
(Z)-2-(4-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile has a molecular weight of 289.77 g/mol, XLogP of 5.56, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(4-chlorophenyl)-3-naphthalen-1-ylprop-2-enenitrile is sourced from PubChem (CID 698328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).