2-(4-anilinophenyl)ethene-1,1,2-tricarbonitrile

C17H10N4 — CID 770018

IUPAC2-(4-anilinophenyl)ethene-1,1,2-tricarbonitrile
SMILESN#CC(C#N)=C(C#N)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C17H10N4/c18-10-14(11-19)17(12-20)13-6-8-16(9-7-13)21-15-4-2-1-3-5-15/h1-9,21H
InChIKeyGVIJWWXEKCBGOV-UHFFFAOYSA-N
MW270.30 g/mol
LogP3.75
Rot. Bonds3

About 2-(4-anilinophenyl)ethene-1,1,2-tricarbonitrile

2-(4-anilinophenyl)ethene-1,1,2-tricarbonitrile (PubChem CID 770018) has the molecular formula C17H10N4 and a molecular weight of 270.30 g/mol. Its IUPAC name is 2-(4-anilinophenyl)ethene-1,1,2-tricarbonitrile.

Molecular Properties

Compound Name2-(4-anilinophenyl)ethene-1,1,2-tricarbonitrile
PubChem CID770018
Molecular FormulaC17H10N4
Molecular Weight270.30 g/mol
Exact Mass270.09
IUPAC Name2-(4-anilinophenyl)ethene-1,1,2-tricarbonitrile
SMILESN#CC(C#N)=C(C#N)c1ccc(Nc2ccccc2)cc1
InChIInChI=1S/C17H10N4/c18-10-14(11-19)17(12-20)13-6-8-16(9-7-13)21-15-4-2-1-3-5-15/h1-9,21H
InChIKeyGVIJWWXEKCBGOV-UHFFFAOYSA-N
XLogP3.75
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.30
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_cyano_A(19)', 'substructure': 'N/A'}, {'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-anilinophenyl)ethene-1,1,2-tricarbonitrile?
The IUPAC name of 2-(4-anilinophenyl)ethene-1,1,2-tricarbonitrile (CID 770018) is 2-(4-anilinophenyl)ethene-1,1,2-tricarbonitrile.
What is the SMILES notation for 2-(4-anilinophenyl)ethene-1,1,2-tricarbonitrile?
The canonical SMILES for 2-(4-anilinophenyl)ethene-1,1,2-tricarbonitrile is N#CC(C#N)=C(C#N)c1ccc(Nc2ccccc2)cc1.
What is the InChIKey of 2-(4-anilinophenyl)ethene-1,1,2-tricarbonitrile?
The InChIKey is GVIJWWXEKCBGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N4/c18-10-14(11-19)17(12-20)13-6-8-16(9-7-13)21-15-4-2-1-3-5-15/h1-9,21H.
What are the key properties of 2-(4-anilinophenyl)ethene-1,1,2-tricarbonitrile?
2-(4-anilinophenyl)ethene-1,1,2-tricarbonitrile has a molecular weight of 270.30 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-anilinophenyl)ethene-1,1,2-tricarbonitrile is sourced from PubChem (CID 770018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).