ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine

C14H24N2O — CID 155694984

IUPACethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
SMILESC=C/C=C1C(=C/C)\OCC2CNCCN\12.CC
InChIInChI=1S/C12H18N2O.C2H6/c1-3-5-11-12(4-2)15-9-10-8-13-6-7-14(10)11;1-2/h3-5,10,13H,1,6-9H2,2H3;1-2H3/b11-5+,12-4+;
InChIKeyIIBMTSLCRSEFQL-VUQJQAMPSA-N
MW236.36 g/mol
LogP2.29
Rot. Bonds1

About ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine

ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine (PubChem CID 155694984) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine.

Molecular Properties

Compound Nameethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
PubChem CID155694984
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Nameethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
SMILESC=C/C=C1C(=C/C)\OCC2CNCCN\12.CC
InChIInChI=1S/C12H18N2O.C2H6/c1-3-5-11-12(4-2)15-9-10-8-13-6-7-14(10)11;1-2/h3-5,10,13H,1,6-9H2,2H3;1-2H3/b11-5+,12-4+;
InChIKeyIIBMTSLCRSEFQL-VUQJQAMPSA-N
XLogP2.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-[(3Z,5Z)-4-piperazin-1-ylhepta-1,3,5-trien-3-yl]oxyethyl]morpholine
CID 142156440
ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one
CID 142373394
Ethane;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene
CID 142373538
1-[(3E,5E)-5-propan-2-yloxyhepta-1,3,5-trien-4-yl]piperazine
CID 143382290
(2E)-2-[(Z)-but-2-enylidene]-3-methylidenemorpholine;(2E)-2-[(Z)-but-2-enylidene]-3-methylidenepiperazine
CID 143998300
ethane;(1E)-1-(4-ethenyl-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazin-3-yl)buta-1,3-dien-2-amine
CID 145202705
(2E,3Z)-2-[(Z)-but-2-enylidene]-3-ethylidenepiperazine;(2E)-2-[(Z)-but-2-enylidene]-3-propan-2-ylidenemorpholine;ethane
CID 145448926
4-ethenyl-3-[(Z)-prop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 155016683
ethane;(1E)-1-(3-ethenyl-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-8-id-4-yl)buta-1,3-dien-2-amine;rutherfordium
CID 155695018
(3E,4E)-3,4-bis(prop-2-enylidene)-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one
CID 166954061
(3E,4E)-3,4-bis(prop-2-enylidene)-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 169898183
5-Methyl-9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(10),11,12,14-tetraen-13-amine
CID 176520308

Frequently Asked Questions

What is the IUPAC name of ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine?
The IUPAC name of ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine (CID 155694984) is ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine.
What is the SMILES notation for ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine?
The canonical SMILES for ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine is C=C/C=C1C(=C/C)\OCC2CNCCN\12.CC.
What is the InChIKey of ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine?
The InChIKey is IIBMTSLCRSEFQL-VUQJQAMPSA-N. The full InChI is InChI=1S/C12H18N2O.C2H6/c1-3-5-11-12(4-2)15-9-10-8-13-6-7-14(10)11;1-2/h3-5,10,13H,1,6-9H2,2H3;1-2H3/b11-5+,12-4+;.
What are the key properties of ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine?
ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine has a molecular weight of 236.36 g/mol, XLogP of 2.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine is sourced from PubChem (CID 155694984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).