2-methyl-6-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine

C11H14N2O — CID 88931091

IUPAC2-methyl-6-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine
SMILESC=C/C=C(\C)OCc1cncc(C)n1
InChIInChI=1S/C11H14N2O/c1-4-5-10(3)14-8-11-7-12-6-9(2)13-11/h4-7H,1,8H2,2-3H3/b10-5+
InChIKeyOIWMMFCESUBDJR-BJMVGYQFSA-N
MW190.25 g/mol
LogP2.39
Rot. Bonds4

About 2-methyl-6-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine

2-methyl-6-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine (PubChem CID 88931091) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-methyl-6-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine.

Molecular Properties

Compound Name2-methyl-6-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine
PubChem CID88931091
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-methyl-6-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine
SMILESC=C/C=C(\C)OCc1cncc(C)n1
InChIInChI=1S/C11H14N2O/c1-4-5-10(3)14-8-11-7-12-6-9(2)13-11/h4-7H,1,8H2,2-3H3/b10-5+
InChIKeyOIWMMFCESUBDJR-BJMVGYQFSA-N
XLogP2.39
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-methyl-6-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine 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 2-methyl-6-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine?
The IUPAC name of 2-methyl-6-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine (CID 88931091) is 2-methyl-6-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine.
What is the SMILES notation for 2-methyl-6-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine?
The canonical SMILES for 2-methyl-6-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine is C=C/C=C(\C)OCc1cncc(C)n1.
What is the InChIKey of 2-methyl-6-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine?
The InChIKey is OIWMMFCESUBDJR-BJMVGYQFSA-N. The full InChI is InChI=1S/C11H14N2O/c1-4-5-10(3)14-8-11-7-12-6-9(2)13-11/h4-7H,1,8H2,2-3H3/b10-5+.
What are the key properties of 2-methyl-6-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine?
2-methyl-6-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine has a molecular weight of 190.25 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine is sourced from PubChem (CID 88931091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).