4-[(E)-2-pyrazin-2-ylethenyl]phenol

C12H10N2O — CID 135429808

IUPAC4-[(E)-2-pyrazin-2-ylethenyl]phenol
SMILESOc1ccc(/C=C/c2cnccn2)cc1
InChIInChI=1S/C12H10N2O/c15-12-5-2-10(3-6-12)1-4-11-9-13-7-8-14-11/h1-9,15H/b4-1+
InChIKeyKDLWVYJOFARPRV-DAFODLJHSA-N
MW198.22 g/mol
LogP2.35
Rot. Bonds2

About 4-[(E)-2-pyrazin-2-ylethenyl]phenol

4-[(E)-2-pyrazin-2-ylethenyl]phenol (PubChem CID 135429808) has the molecular formula C12H10N2O and a molecular weight of 198.22 g/mol. Its IUPAC name is 4-[(E)-2-pyrazin-2-ylethenyl]phenol.

Molecular Properties

Compound Name4-[(E)-2-pyrazin-2-ylethenyl]phenol
PubChem CID135429808
Molecular FormulaC12H10N2O
Molecular Weight198.22 g/mol
Exact Mass198.08
IUPAC Name4-[(E)-2-pyrazin-2-ylethenyl]phenol
SMILESOc1ccc(/C=C/c2cnccn2)cc1
InChIInChI=1S/C12H10N2O/c15-12-5-2-10(3-6-12)1-4-11-9-13-7-8-14-11/h1-9,15H/b4-1+
InChIKeyKDLWVYJOFARPRV-DAFODLJHSA-N
XLogP2.35
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[(E)-2-pyrazin-2-ylethenyl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-pyrazin-2-ylethenyl]phenol?
The IUPAC name of 4-[(E)-2-pyrazin-2-ylethenyl]phenol (CID 135429808) is 4-[(E)-2-pyrazin-2-ylethenyl]phenol.
What is the SMILES notation for 4-[(E)-2-pyrazin-2-ylethenyl]phenol?
The canonical SMILES for 4-[(E)-2-pyrazin-2-ylethenyl]phenol is Oc1ccc(/C=C/c2cnccn2)cc1.
What is the InChIKey of 4-[(E)-2-pyrazin-2-ylethenyl]phenol?
The InChIKey is KDLWVYJOFARPRV-DAFODLJHSA-N. The full InChI is InChI=1S/C12H10N2O/c15-12-5-2-10(3-6-12)1-4-11-9-13-7-8-14-11/h1-9,15H/b4-1+.
What are the key properties of 4-[(E)-2-pyrazin-2-ylethenyl]phenol?
4-[(E)-2-pyrazin-2-ylethenyl]phenol has a molecular weight of 198.22 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-pyrazin-2-ylethenyl]phenol is sourced from PubChem (CID 135429808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).