2-hept-6-enylpyrazine

C11H16N2 — CID 57339821

IUPAC2-hept-6-enylpyrazine
SMILESC=CCCCCCc1cnccn1
InChIInChI=1S/C11H16N2/c1-2-3-4-5-6-7-11-10-12-8-9-13-11/h2,8-10H,1,3-7H2
InChIKeyDBHCWJLNQVFLQP-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.77
Rot. Bonds6

About 2-hept-6-enylpyrazine

2-hept-6-enylpyrazine (PubChem CID 57339821) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 2-hept-6-enylpyrazine.

Molecular Properties

Compound Name2-hept-6-enylpyrazine
PubChem CID57339821
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name2-hept-6-enylpyrazine
SMILESC=CCCCCCc1cnccn1
InChIInChI=1S/C11H16N2/c1-2-3-4-5-6-7-11-10-12-8-9-13-11/h2,8-10H,1,3-7H2
InChIKeyDBHCWJLNQVFLQP-UHFFFAOYSA-N
XLogP2.77
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-hept-6-enylpyrazine?
The IUPAC name of 2-hept-6-enylpyrazine (CID 57339821) is 2-hept-6-enylpyrazine.
What is the SMILES notation for 2-hept-6-enylpyrazine?
The canonical SMILES for 2-hept-6-enylpyrazine is C=CCCCCCc1cnccn1.
What is the InChIKey of 2-hept-6-enylpyrazine?
The InChIKey is DBHCWJLNQVFLQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2/c1-2-3-4-5-6-7-11-10-12-8-9-13-11/h2,8-10H,1,3-7H2.
What are the key properties of 2-hept-6-enylpyrazine?
2-hept-6-enylpyrazine has a molecular weight of 176.26 g/mol, XLogP of 2.77, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hept-6-enylpyrazine is sourced from PubChem (CID 57339821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).