2-penta-1,3-dienylpyrazine

C9H10N2 — CID 141081856

IUPAC2-penta-1,3-dienylpyrazine
SMILESCC=CC=Cc1cnccn1
InChIInChI=1S/C9H10N2/c1-2-3-4-5-9-8-10-6-7-11-9/h2-8H,1H3
InChIKeyBBOVDFHQWJEPIW-UHFFFAOYSA-N
MW146.19 g/mol
LogP2.07
Rot. Bonds2

About 2-penta-1,3-dienylpyrazine

2-penta-1,3-dienylpyrazine (PubChem CID 141081856) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is 2-penta-1,3-dienylpyrazine.

Molecular Properties

Compound Name2-penta-1,3-dienylpyrazine
PubChem CID141081856
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name2-penta-1,3-dienylpyrazine
SMILESCC=CC=Cc1cnccn1
InChIInChI=1S/C9H10N2/c1-2-3-4-5-9-8-10-6-7-11-9/h2-8H,1H3
InChIKeyBBOVDFHQWJEPIW-UHFFFAOYSA-N
XLogP2.07
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.19
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-penta-1,3-dienylpyrazine?
The IUPAC name of 2-penta-1,3-dienylpyrazine (CID 141081856) is 2-penta-1,3-dienylpyrazine.
What is the SMILES notation for 2-penta-1,3-dienylpyrazine?
The canonical SMILES for 2-penta-1,3-dienylpyrazine is CC=CC=Cc1cnccn1.
What is the InChIKey of 2-penta-1,3-dienylpyrazine?
The InChIKey is BBOVDFHQWJEPIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-3-4-5-9-8-10-6-7-11-9/h2-8H,1H3.
What are the key properties of 2-penta-1,3-dienylpyrazine?
2-penta-1,3-dienylpyrazine has a molecular weight of 146.19 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-penta-1,3-dienylpyrazine is sourced from PubChem (CID 141081856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).