2-methyl-3-prop-2-enylpyrazine

C8H10N2 — CID 583833

IUPAC2-methyl-3-prop-2-enylpyrazine
SMILESC=CCc1nccnc1C
InChIInChI=1S/C8H10N2/c1-3-4-8-7(2)9-5-6-10-8/h3,5-6H,1,4H2,2H3
InChIKeyAQCVFCFCPBWGSY-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.51
Rot. Bonds2

About 2-methyl-3-prop-2-enylpyrazine

2-methyl-3-prop-2-enylpyrazine (PubChem CID 583833) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-methyl-3-prop-2-enylpyrazine.

Molecular Properties

Compound Name2-methyl-3-prop-2-enylpyrazine
PubChem CID583833
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-methyl-3-prop-2-enylpyrazine
SMILESC=CCc1nccnc1C
InChIInChI=1S/C8H10N2/c1-3-4-8-7(2)9-5-6-10-8/h3,5-6H,1,4H2,2H3
InChIKeyAQCVFCFCPBWGSY-UHFFFAOYSA-N
XLogP1.51
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-prop-2-enylpyrazine?
The IUPAC name of 2-methyl-3-prop-2-enylpyrazine (CID 583833) is 2-methyl-3-prop-2-enylpyrazine.
What is the SMILES notation for 2-methyl-3-prop-2-enylpyrazine?
The canonical SMILES for 2-methyl-3-prop-2-enylpyrazine is C=CCc1nccnc1C.
What is the InChIKey of 2-methyl-3-prop-2-enylpyrazine?
The InChIKey is AQCVFCFCPBWGSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-3-4-8-7(2)9-5-6-10-8/h3,5-6H,1,4H2,2H3.
What are the key properties of 2-methyl-3-prop-2-enylpyrazine?
2-methyl-3-prop-2-enylpyrazine has a molecular weight of 134.18 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-prop-2-enylpyrazine is sourced from PubChem (CID 583833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).