(3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine

C9H10N2 — CID 89263783

IUPAC(3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine
SMILESC=C/C=C\C=C1/CN=CC=N1
InChIInChI=1S/C9H10N2/c1-2-3-4-5-9-8-10-6-7-11-9/h2-7H,1,8H2/b4-3-,9-5+
InChIKeyCYEVPRQSCBWKMZ-XBURUKCPSA-N
MW146.19 g/mol
LogP1.77
Rot. Bonds2

About (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine

(3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine (PubChem CID 89263783) has the molecular formula C9H10N2 and a molecular weight of 146.19 g/mol. Its IUPAC name is (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine.

Molecular Properties

Compound Name(3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine
PubChem CID89263783
Molecular FormulaC9H10N2
Molecular Weight146.19 g/mol
Exact Mass146.08
IUPAC Name(3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine
SMILESC=C/C=C\C=C1/CN=CC=N1
InChIInChI=1S/C9H10N2/c1-2-3-4-5-9-8-10-6-7-11-9/h2-7H,1,8H2/b4-3-,9-5+
InChIKeyCYEVPRQSCBWKMZ-XBURUKCPSA-N
XLogP1.77
TPSA24.72 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 ≤ 51.77
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 (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine?
The IUPAC name of (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine (CID 89263783) is (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine.
What is the SMILES notation for (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine?
The canonical SMILES for (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine is C=C/C=C\C=C1/CN=CC=N1.
What is the InChIKey of (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine?
The InChIKey is CYEVPRQSCBWKMZ-XBURUKCPSA-N. The full InChI is InChI=1S/C9H10N2/c1-2-3-4-5-9-8-10-6-7-11-9/h2-7H,1,8H2/b4-3-,9-5+.
What are the key properties of (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine?
(3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine has a molecular weight of 146.19 g/mol, XLogP of 1.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-3-[(2Z)-penta-2,4-dienylidene]-2H-pyrazine is sourced from PubChem (CID 89263783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).