2-(1-ethoxyethenyl)-6-methoxypyrazine

C9H12N2O2 — CID 121394061

IUPAC2-(1-ethoxyethenyl)-6-methoxypyrazine
SMILESC=C(OCC)c1cncc(OC)n1
InChIInChI=1S/C9H12N2O2/c1-4-13-7(2)8-5-10-6-9(11-8)12-3/h5-6H,2,4H2,1,3H3
InChIKeyXTMRAJORAPNCCY-UHFFFAOYSA-N
MW180.21 g/mol
LogP1.49
Rot. Bonds4

About 2-(1-ethoxyethenyl)-6-methoxypyrazine

2-(1-ethoxyethenyl)-6-methoxypyrazine (PubChem CID 121394061) has the molecular formula C9H12N2O2 and a molecular weight of 180.21 g/mol. Its IUPAC name is 2-(1-ethoxyethenyl)-6-methoxypyrazine.

Molecular Properties

Compound Name2-(1-ethoxyethenyl)-6-methoxypyrazine
PubChem CID121394061
Molecular FormulaC9H12N2O2
Molecular Weight180.21 g/mol
Exact Mass180.09
IUPAC Name2-(1-ethoxyethenyl)-6-methoxypyrazine
SMILESC=C(OCC)c1cncc(OC)n1
InChIInChI=1S/C9H12N2O2/c1-4-13-7(2)8-5-10-6-9(11-8)12-3/h5-6H,2,4H2,1,3H3
InChIKeyXTMRAJORAPNCCY-UHFFFAOYSA-N
XLogP1.49
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethenyl)-6-methoxypyrazine?
The IUPAC name of 2-(1-ethoxyethenyl)-6-methoxypyrazine (CID 121394061) is 2-(1-ethoxyethenyl)-6-methoxypyrazine.
What is the SMILES notation for 2-(1-ethoxyethenyl)-6-methoxypyrazine?
The canonical SMILES for 2-(1-ethoxyethenyl)-6-methoxypyrazine is C=C(OCC)c1cncc(OC)n1.
What is the InChIKey of 2-(1-ethoxyethenyl)-6-methoxypyrazine?
The InChIKey is XTMRAJORAPNCCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O2/c1-4-13-7(2)8-5-10-6-9(11-8)12-3/h5-6H,2,4H2,1,3H3.
What are the key properties of 2-(1-ethoxyethenyl)-6-methoxypyrazine?
2-(1-ethoxyethenyl)-6-methoxypyrazine has a molecular weight of 180.21 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethenyl)-6-methoxypyrazine is sourced from PubChem (CID 121394061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).