2-octylpyrazine

C12H20N2 — CID 528151

IUPAC2-octylpyrazine
SMILESCCCCCCCCc1cnccn1
InChIInChI=1S/C12H20N2/c1-2-3-4-5-6-7-8-12-11-13-9-10-14-12/h9-11H,2-8H2,1H3
InChIKeyVEIAXROYVVCIER-UHFFFAOYSA-N
MW192.31 g/mol
LogP3.38
Rot. Bonds7

About 2-octylpyrazine

2-octylpyrazine (PubChem CID 528151) has the molecular formula C12H20N2 and a molecular weight of 192.31 g/mol. Its IUPAC name is 2-octylpyrazine.

Molecular Properties

Compound Name2-octylpyrazine
PubChem CID528151
Molecular FormulaC12H20N2
Molecular Weight192.31 g/mol
Exact Mass192.16
IUPAC Name2-octylpyrazine
SMILESCCCCCCCCc1cnccn1
InChIInChI=1S/C12H20N2/c1-2-3-4-5-6-7-8-12-11-13-9-10-14-12/h9-11H,2-8H2,1H3
InChIKeyVEIAXROYVVCIER-UHFFFAOYSA-N
XLogP3.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.31
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-octylpyrazine?
The IUPAC name of 2-octylpyrazine (CID 528151) is 2-octylpyrazine.
What is the SMILES notation for 2-octylpyrazine?
The canonical SMILES for 2-octylpyrazine is CCCCCCCCc1cnccn1.
What is the InChIKey of 2-octylpyrazine?
The InChIKey is VEIAXROYVVCIER-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2/c1-2-3-4-5-6-7-8-12-11-13-9-10-14-12/h9-11H,2-8H2,1H3.
What are the key properties of 2-octylpyrazine?
2-octylpyrazine has a molecular weight of 192.31 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-octylpyrazine is sourced from PubChem (CID 528151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).