(2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenepiperazine;(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine;ethane

C23H39N3O — CID 145448926

IUPAC(2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenepiperazine;(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine;ethane
SMILESC/C=C\C=C1\NCCN\C1=C/C.C/C=C\C=C1\OCCNC1=C(C)C.CC
InChIInChI=1S/C11H17NO.C10H16N2.C2H6/c1-4-5-6-10-11(9(2)3)12-7-8-13-10;1-3-5-6-10-9(4-2)11-7-8-12-10;1-2/h4-6,12H,7-8H2,1-3H3;3-6,11-12H,7-8H2,1-2H3;1-2H3/b5-4-,10-6+;5-3-,9-4-,10-6+;
InChIKeyGEKXTKTZTQNEES-YXJNYDPISA-N
MW373.59 g/mol
LogP4.93
Rot. Bonds2

About (2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenepiperazine;(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine;ethane

(2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenepiperazine;(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine;ethane (PubChem CID 145448926) has the molecular formula C23H39N3O and a molecular weight of 373.59 g/mol. Its IUPAC name is (2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenepiperazine;(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine;ethane.

Molecular Properties

Compound Name(2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenepiperazine;(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine;ethane
PubChem CID145448926
Molecular FormulaC23H39N3O
Molecular Weight373.59 g/mol
Exact Mass373.31
IUPAC Name(2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenepiperazine;(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine;ethane
SMILESC/C=C\C=C1\NCCN\C1=C/C.C/C=C\C=C1\OCCNC1=C(C)C.CC
InChIInChI=1S/C11H17NO.C10H16N2.C2H6/c1-4-5-6-10-11(9(2)3)12-7-8-13-10;1-3-5-6-10-9(4-2)11-7-8-12-10;1-2/h4-6,12H,7-8H2,1-3H3;3-6,11-12H,7-8H2,1-2H3;1-2H3/b5-4-,10-6+;5-3-,9-4-,10-6+;
InChIKeyGEKXTKTZTQNEES-YXJNYDPISA-N
XLogP4.93
TPSA45.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.59
LogP ≤ 54.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze (2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenepiperazine;(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine;ethane with MolForge

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Related Compounds

4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine
CID 142156440
(2E,3E)-3-[(Z)-but-2-enylidene]-2-ethylidenemorpholine;ethane
CID 143195759
(2E,3E)-2,3-di(ethylidene)morpholine;ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidene-1,4-dioxane
CID 143243907
1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine
CID 143382290
ethane;(2E,3E)-2-ethylidene-3-prop-2-enylidenemorpholine
CID 143542471
(2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine;(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepiperazine
CID 143998300
ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 155694984
(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine
CID 145448927
(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 155694985

Frequently Asked Questions

What is the IUPAC name of (2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenepiperazine;(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine;ethane?
The IUPAC name of (2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenepiperazine;(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine;ethane (CID 145448926) is (2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenepiperazine;(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine;ethane.
What is the SMILES notation for (2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenepiperazine;(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine;ethane?
The canonical SMILES for (2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenepiperazine;(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine;ethane is C/C=C\C=C1\NCCN\C1=C/C.C/C=C\C=C1\OCCNC1=C(C)C.CC.
What is the InChIKey of (2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenepiperazine;(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine;ethane?
The InChIKey is GEKXTKTZTQNEES-YXJNYDPISA-N. The full InChI is InChI=1S/C11H17NO.C10H16N2.C2H6/c1-4-5-6-10-11(9(2)3)12-7-8-13-10;1-3-5-6-10-9(4-2)11-7-8-12-10;1-2/h4-6,12H,7-8H2,1-3H3;3-6,11-12H,7-8H2,1-2H3;1-2H3/b5-4-,10-6+;5-3-,9-4-,10-6+;.
What are the key properties of (2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenepiperazine;(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine;ethane?
(2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenepiperazine;(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine;ethane has a molecular weight of 373.59 g/mol, XLogP of 4.93, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenepiperazine;(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine;ethane is sourced from PubChem (CID 145448926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).