2-but-3-enylpyrazine

C8H10N2 — CID 22477625

IUPAC2-but-3-enylpyrazine
SMILESC=CCCc1cnccn1
InChIInChI=1S/C8H10N2/c1-2-3-4-8-7-9-5-6-10-8/h2,5-7H,1,3-4H2
InChIKeyVTXWAVDGZZPPIO-UHFFFAOYSA-N
MW134.18 g/mol
LogP1.60
Rot. Bonds3

About 2-but-3-enylpyrazine

2-but-3-enylpyrazine (PubChem CID 22477625) has the molecular formula C8H10N2 and a molecular weight of 134.18 g/mol. Its IUPAC name is 2-but-3-enylpyrazine.

Molecular Properties

Compound Name2-but-3-enylpyrazine
PubChem CID22477625
Molecular FormulaC8H10N2
Molecular Weight134.18 g/mol
Exact Mass134.08
IUPAC Name2-but-3-enylpyrazine
SMILESC=CCCc1cnccn1
InChIInChI=1S/C8H10N2/c1-2-3-4-8-7-9-5-6-10-8/h2,5-7H,1,3-4H2
InChIKeyVTXWAVDGZZPPIO-UHFFFAOYSA-N
XLogP1.60
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.18
LogP ≤ 51.60
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-but-3-enylpyrazine?
The IUPAC name of 2-but-3-enylpyrazine (CID 22477625) is 2-but-3-enylpyrazine.
What is the SMILES notation for 2-but-3-enylpyrazine?
The canonical SMILES for 2-but-3-enylpyrazine is C=CCCc1cnccn1.
What is the InChIKey of 2-but-3-enylpyrazine?
The InChIKey is VTXWAVDGZZPPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2/c1-2-3-4-8-7-9-5-6-10-8/h2,5-7H,1,3-4H2.
What are the key properties of 2-but-3-enylpyrazine?
2-but-3-enylpyrazine has a molecular weight of 134.18 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-but-3-enylpyrazine is sourced from PubChem (CID 22477625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).