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

C12H21NO — CID 143195759

IUPAC(2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidenemorpholine;ethane
SMILESC/C=C\C=C1\NCCO\C1=C\C.CC
InChIInChI=1S/C10H15NO.C2H6/c1-3-5-6-9-10(4-2)12-8-7-11-9;1-2/h3-6,11H,7-8H2,1-2H3;1-2H3/b5-3-,9-6+,10-4+;
InChIKeyIXEPIZAJJOTRBR-COVVKJAWSA-N
MW195.31 g/mol
LogP3.00
Rot. Bonds1

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

(2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidenemorpholine;ethane (PubChem CID 143195759) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidenemorpholine;ethane.

Molecular Properties

Compound Name(2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidenemorpholine;ethane
PubChem CID143195759
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name(2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidenemorpholine;ethane
SMILESC/C=C\C=C1\NCCO\C1=C\C.CC
InChIInChI=1S/C10H15NO.C2H6/c1-3-5-6-9-10(4-2)12-8-7-11-9;1-2/h3-6,11H,7-8H2,1-2H3;1-2H3/b5-3-,9-6+,10-4+;
InChIKeyIXEPIZAJJOTRBR-COVVKJAWSA-N
XLogP3.00
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidenemorpholine;ethane?
The IUPAC name of (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidenemorpholine;ethane (CID 143195759) is (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidenemorpholine;ethane.
What is the SMILES notation for (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidenemorpholine;ethane?
The canonical SMILES for (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidenemorpholine;ethane is C/C=C\C=C1\NCCO\C1=C\C.CC.
What is the InChIKey of (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidenemorpholine;ethane?
The InChIKey is IXEPIZAJJOTRBR-COVVKJAWSA-N. The full InChI is InChI=1S/C10H15NO.C2H6/c1-3-5-6-9-10(4-2)12-8-7-11-9;1-2/h3-6,11H,7-8H2,1-2H3;1-2H3/b5-3-,9-6+,10-4+;.
What are the key properties of (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidenemorpholine;ethane?
(2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidenemorpholine;ethane has a molecular weight of 195.31 g/mol, XLogP of 3.00, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidenemorpholine;ethane is sourced from PubChem (CID 143195759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).