2-(4-prop-2-enylphenyl)pyrazine

C13H12N2 — CID 90916121

IUPAC2-(4-prop-2-enylphenyl)pyrazine
SMILESC=CCc1ccc(-c2cnccn2)cc1
InChIInChI=1S/C13H12N2/c1-2-3-11-4-6-12(7-5-11)13-10-14-8-9-15-13/h2,4-10H,1,3H2
InChIKeyJXEBAAWFNITUAG-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.87
Rot. Bonds3

About 2-(4-prop-2-enylphenyl)pyrazine

2-(4-prop-2-enylphenyl)pyrazine (PubChem CID 90916121) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 2-(4-prop-2-enylphenyl)pyrazine.

Molecular Properties

Compound Name2-(4-prop-2-enylphenyl)pyrazine
PubChem CID90916121
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name2-(4-prop-2-enylphenyl)pyrazine
SMILESC=CCc1ccc(-c2cnccn2)cc1
InChIInChI=1S/C13H12N2/c1-2-3-11-4-6-12(7-5-11)13-10-14-8-9-15-13/h2,4-10H,1,3H2
InChIKeyJXEBAAWFNITUAG-UHFFFAOYSA-N
XLogP2.87
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(4-prop-2-enylphenyl)pyrazine?
The IUPAC name of 2-(4-prop-2-enylphenyl)pyrazine (CID 90916121) is 2-(4-prop-2-enylphenyl)pyrazine.
What is the SMILES notation for 2-(4-prop-2-enylphenyl)pyrazine?
The canonical SMILES for 2-(4-prop-2-enylphenyl)pyrazine is C=CCc1ccc(-c2cnccn2)cc1.
What is the InChIKey of 2-(4-prop-2-enylphenyl)pyrazine?
The InChIKey is JXEBAAWFNITUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-3-11-4-6-12(7-5-11)13-10-14-8-9-15-13/h2,4-10H,1,3H2.
What are the key properties of 2-(4-prop-2-enylphenyl)pyrazine?
2-(4-prop-2-enylphenyl)pyrazine has a molecular weight of 196.25 g/mol, XLogP of 2.87, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-prop-2-enylphenyl)pyrazine is sourced from PubChem (CID 90916121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).