2-methyl-6-(penta-2,4-dien-2-yloxymethyl)pyrazine

C11H14N2O — CID 123522750

IUPAC2-methyl-6-(penta-2,4-dien-2-yloxymethyl)pyrazine
SMILESC=CC=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
InChIKeyOIWMMFCESUBDJR-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.39
Rot. Bonds4

About 2-methyl-6-(penta-2,4-dien-2-yloxymethyl)pyrazine

2-methyl-6-(penta-2,4-dien-2-yloxymethyl)pyrazine (PubChem CID 123522750) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-methyl-6-(penta-2,4-dien-2-yloxymethyl)pyrazine.

Molecular Properties

Compound Name2-methyl-6-(penta-2,4-dien-2-yloxymethyl)pyrazine
PubChem CID123522750
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-methyl-6-(penta-2,4-dien-2-yloxymethyl)pyrazine
SMILESC=CC=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
InChIKeyOIWMMFCESUBDJR-UHFFFAOYSA-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'}

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Related Compounds

2-Methoxy-(3,5 or 6)-methylpyrazine
CID 113204
Pyrazine, 2-(ethoxymethyl)-5-methyl-, 4-oxide
CID 3068149
Pyrazine, 2-ethoxymethyl-
CID 103404
Pyrazin-2-ylmethyl acetate
CID 12933345
(6-Methylpyrazin-2-yl)methyl acetate
CID 13123637
2,5-Bis(methoxymethyl)pyrazine
CID 14257640
2-(Prop-2-ynoxymethyl)pyrazine
CID 14531221
(5-Methylpyrazin-2-yl)methyl acetate
CID 14532641
2-(1-Ethoxyethyl)pyrazine
CID 71406239
2-Fluoro-5-(propan-2-yloxymethyl)pyrazine
CID 170969516
2-[[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxymethyl]pyrazine
CID 176701007
2-Methyl-5-[(5-methylpyrazin-2-yl)methoxymethyl]pyrazine
CID 14170093

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(penta-2,4-dien-2-yloxymethyl)pyrazine?
The IUPAC name of 2-methyl-6-(penta-2,4-dien-2-yloxymethyl)pyrazine (CID 123522750) is 2-methyl-6-(penta-2,4-dien-2-yloxymethyl)pyrazine.
What is the SMILES notation for 2-methyl-6-(penta-2,4-dien-2-yloxymethyl)pyrazine?
The canonical SMILES for 2-methyl-6-(penta-2,4-dien-2-yloxymethyl)pyrazine is C=CC=C(C)OCc1cncc(C)n1.
What is the InChIKey of 2-methyl-6-(penta-2,4-dien-2-yloxymethyl)pyrazine?
The InChIKey is OIWMMFCESUBDJR-UHFFFAOYSA-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.
What are the key properties of 2-methyl-6-(penta-2,4-dien-2-yloxymethyl)pyrazine?
2-methyl-6-(penta-2,4-dien-2-yloxymethyl)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-(penta-2,4-dien-2-yloxymethyl)pyrazine is sourced from PubChem (CID 123522750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).