(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrazine;ethane

C13H22N2 — CID 143657119

IUPAC(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrazine;ethane
SMILESC=c1nccn/c1=C/C=C\C.CC.CC
InChIInChI=1S/C9H10N2.2C2H6/c1-3-4-5-9-8(2)10-6-7-11-9;2*1-2/h3-7H,2H2,1H3;2*1-2H3/b4-3-,9-5+;;
InChIKeyKPXRORFAXAXOJP-LBMYMVABSA-N
MW206.33 g/mol
LogP2.30
Rot. Bonds1

About (2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrazine;ethane

(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrazine;ethane (PubChem CID 143657119) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrazine;ethane.

Molecular Properties

Compound Name(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrazine;ethane
PubChem CID143657119
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrazine;ethane
SMILESC=c1nccn/c1=C/C=C\C.CC.CC
InChIInChI=1S/C9H10N2.2C2H6/c1-3-4-5-9-8(2)10-6-7-11-9;2*1-2/h3-7H,2H2,1H3;2*1-2H3/b4-3-,9-5+;;
InChIKeyKPXRORFAXAXOJP-LBMYMVABSA-N
XLogP2.30
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrazine;ethane?
The IUPAC name of (2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrazine;ethane (CID 143657119) is (2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrazine;ethane.
What is the SMILES notation for (2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrazine;ethane?
The canonical SMILES for (2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrazine;ethane is C=c1nccn/c1=C/C=C\C.CC.CC.
What is the InChIKey of (2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrazine;ethane?
The InChIKey is KPXRORFAXAXOJP-LBMYMVABSA-N. The full InChI is InChI=1S/C9H10N2.2C2H6/c1-3-4-5-9-8(2)10-6-7-11-9;2*1-2/h3-7H,2H2,1H3;2*1-2H3/b4-3-,9-5+;;.
What are the key properties of (2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrazine;ethane?
(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrazine;ethane has a molecular weight of 206.33 g/mol, XLogP of 2.30, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-[(Z)-but-2-enylidene]-3-methylidenepyrazine;ethane is sourced from PubChem (CID 143657119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).