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

C10H12N2O — CID 88931090

IUPAC2-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine
SMILESC=C/C=C(\C)OCc1cnccn1
InChIInChI=1S/C10H12N2O/c1-3-4-9(2)13-8-10-7-11-5-6-12-10/h3-7H,1,8H2,2H3/b9-4+
InChIKeyOTTUJMSCNBVCKU-RUDMXATFSA-N
MW176.22 g/mol
LogP2.08
Rot. Bonds4

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

2-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine (PubChem CID 88931090) has the molecular formula C10H12N2O and a molecular weight of 176.22 g/mol. Its IUPAC name is 2-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine.

Molecular Properties

Compound Name2-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine
PubChem CID88931090
Molecular FormulaC10H12N2O
Molecular Weight176.22 g/mol
Exact Mass176.09
IUPAC Name2-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine
SMILESC=C/C=C(\C)OCc1cnccn1
InChIInChI=1S/C10H12N2O/c1-3-4-9(2)13-8-10-7-11-5-6-12-10/h3-7H,1,8H2,2H3/b9-4+
InChIKeyOTTUJMSCNBVCKU-RUDMXATFSA-N
XLogP2.08
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.08
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-[[(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-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine?
The IUPAC name of 2-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine (CID 88931090) is 2-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine.
What is the SMILES notation for 2-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine?
The canonical SMILES for 2-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine is C=C/C=C(\C)OCc1cnccn1.
What is the InChIKey of 2-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine?
The InChIKey is OTTUJMSCNBVCKU-RUDMXATFSA-N. The full InChI is InChI=1S/C10H12N2O/c1-3-4-9(2)13-8-10-7-11-5-6-12-10/h3-7H,1,8H2,2H3/b9-4+.
What are the key properties of 2-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine?
2-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine has a molecular weight of 176.22 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2E)-penta-2,4-dien-2-yl]oxymethyl]pyrazine is sourced from PubChem (CID 88931090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).