(2E,3E)-2-[(Z)-but-2-enylidene]-3-ethylidenepyrazine;propane

C13H20N2 — CID 143498582

IUPAC(2E,3E)-2-[(Z)-but-2-enylidene]-3-ethylidenepyrazine;propane
SMILESC/C=C\C=c1\nccn\c1=C\C.CCC
InChIInChI=1S/C10H12N2.C3H8/c1-3-5-6-10-9(4-2)11-7-8-12-10;1-3-2/h3-8H,1-2H3;3H2,1-2H3/b5-3-,9-4+,10-6+;
InChIKeyXBBHHWFJEYEEOE-JWUZLMLLSA-N
MW204.32 g/mol
LogP2.05
Rot. Bonds1

About (2E,3E)-2-[(Z)-but-2-enylidene]-3-ethylidenepyrazine;propane

(2E,3E)-2-[(Z)-but-2-enylidene]-3-ethylidenepyrazine;propane (PubChem CID 143498582) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is (2E,3E)-2-[(Z)-but-2-enylidene]-3-ethylidenepyrazine;propane.

Molecular Properties

Compound Name(2E,3E)-2-[(Z)-but-2-enylidene]-3-ethylidenepyrazine;propane
PubChem CID143498582
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name(2E,3E)-2-[(Z)-but-2-enylidene]-3-ethylidenepyrazine;propane
SMILESC/C=C\C=c1\nccn\c1=C\C.CCC
InChIInChI=1S/C10H12N2.C3H8/c1-3-5-6-10-9(4-2)11-7-8-12-10;1-3-2/h3-8H,1-2H3;3H2,1-2H3/b5-3-,9-4+,10-6+;
InChIKeyXBBHHWFJEYEEOE-JWUZLMLLSA-N
XLogP2.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-2-[(Z)-but-2-enylidene]-3-ethylidenepyrazine;propane?
The IUPAC name of (2E,3E)-2-[(Z)-but-2-enylidene]-3-ethylidenepyrazine;propane (CID 143498582) is (2E,3E)-2-[(Z)-but-2-enylidene]-3-ethylidenepyrazine;propane.
What is the SMILES notation for (2E,3E)-2-[(Z)-but-2-enylidene]-3-ethylidenepyrazine;propane?
The canonical SMILES for (2E,3E)-2-[(Z)-but-2-enylidene]-3-ethylidenepyrazine;propane is C/C=C\C=c1\nccn\c1=C\C.CCC.
What is the InChIKey of (2E,3E)-2-[(Z)-but-2-enylidene]-3-ethylidenepyrazine;propane?
The InChIKey is XBBHHWFJEYEEOE-JWUZLMLLSA-N. The full InChI is InChI=1S/C10H12N2.C3H8/c1-3-5-6-10-9(4-2)11-7-8-12-10;1-3-2/h3-8H,1-2H3;3H2,1-2H3/b5-3-,9-4+,10-6+;.
What are the key properties of (2E,3E)-2-[(Z)-but-2-enylidene]-3-ethylidenepyrazine;propane?
(2E,3E)-2-[(Z)-but-2-enylidene]-3-ethylidenepyrazine;propane has a molecular weight of 204.32 g/mol, XLogP of 2.05, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-2-[(Z)-but-2-enylidene]-3-ethylidenepyrazine;propane is sourced from PubChem (CID 143498582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).