(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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Related Compounds

(2Z)-2-(1-fluoroprop-2-enylidene)-3-methylidenemorpholine
CID 145625423
5-[(Z)-3-methylbut-1-enyl]-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-1,4-oxazine
CID 70330097
(3Z)-5-[2-(dimethylamino)ethoxy]hexa-1,3,5-trien-2-amine
CID 88957062
4-(4-Methoxyhexa-2,4-dien-3-yl)morpholine
CID 90799986
4-(4-Ethoxyhexa-2,4-dien-3-yl)morpholine
CID 91592386
5-methyl-6-(2-methylprop-1-enyl)-3,4-dihydro-2H-1,4-oxazine
CID 117949988
N,N-dimethyl-2H-pyran-2-amine;morpholine;propan-2-amine
CID 117966799
1-(4-Methoxyhexa-2,4-dien-3-yl)piperazine
CID 123867482
3-But-2-enylidene-4-methyl-2-(3-methylbut-2-enylidene)morpholine
CID 123995320
(3E)-3-[(Z)-but-2-enylidene]-2-methylidenemorpholine
CID 130336935
2-Methyl-2,3,4,6-tetrahydrocyclohepta[b][1,4]oxazine
CID 130340457
6-[(1Z)-buta-1,3-dienyl]-5-ethenyl-3,4-dihydro-2H-1,4-oxazine
CID 132040108

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).