3-[2-(4-methylphenyl)ethenyl]benzene-1,2-dicarbonitrile

C17H12N2 — CID 67854033

IUPAC3-[2-(4-methylphenyl)ethenyl]benzene-1,2-dicarbonitrile
SMILESCc1ccc(C=Cc2cccc(C#N)c2C#N)cc1
InChIInChI=1S/C17H12N2/c1-13-5-7-14(8-6-13)9-10-15-3-2-4-16(11-18)17(15)12-19/h2-10H,1H3
InChIKeyFAVZEIBORGKJQX-UHFFFAOYSA-N
MW244.30 g/mol
LogP3.91
Rot. Bonds2

About 3-[2-(4-methylphenyl)ethenyl]benzene-1,2-dicarbonitrile

3-[2-(4-methylphenyl)ethenyl]benzene-1,2-dicarbonitrile (PubChem CID 67854033) has the molecular formula C17H12N2 and a molecular weight of 244.30 g/mol. Its IUPAC name is 3-[2-(4-methylphenyl)ethenyl]benzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name3-[2-(4-methylphenyl)ethenyl]benzene-1,2-dicarbonitrile
PubChem CID67854033
Molecular FormulaC17H12N2
Molecular Weight244.30 g/mol
Exact Mass244.10
IUPAC Name3-[2-(4-methylphenyl)ethenyl]benzene-1,2-dicarbonitrile
SMILESCc1ccc(C=Cc2cccc(C#N)c2C#N)cc1
InChIInChI=1S/C17H12N2/c1-13-5-7-14(8-6-13)9-10-15-3-2-4-16(11-18)17(15)12-19/h2-10H,1H3
InChIKeyFAVZEIBORGKJQX-UHFFFAOYSA-N
XLogP3.91
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-methylphenyl)ethenyl]benzene-1,2-dicarbonitrile?
The IUPAC name of 3-[2-(4-methylphenyl)ethenyl]benzene-1,2-dicarbonitrile (CID 67854033) is 3-[2-(4-methylphenyl)ethenyl]benzene-1,2-dicarbonitrile.
What is the SMILES notation for 3-[2-(4-methylphenyl)ethenyl]benzene-1,2-dicarbonitrile?
The canonical SMILES for 3-[2-(4-methylphenyl)ethenyl]benzene-1,2-dicarbonitrile is Cc1ccc(C=Cc2cccc(C#N)c2C#N)cc1.
What is the InChIKey of 3-[2-(4-methylphenyl)ethenyl]benzene-1,2-dicarbonitrile?
The InChIKey is FAVZEIBORGKJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2/c1-13-5-7-14(8-6-13)9-10-15-3-2-4-16(11-18)17(15)12-19/h2-10H,1H3.
What are the key properties of 3-[2-(4-methylphenyl)ethenyl]benzene-1,2-dicarbonitrile?
3-[2-(4-methylphenyl)ethenyl]benzene-1,2-dicarbonitrile has a molecular weight of 244.30 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-methylphenyl)ethenyl]benzene-1,2-dicarbonitrile is sourced from PubChem (CID 67854033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).