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

C12H18N2O — CID 155694985

IUPAC(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
InChIInChI=1S/C12H18N2O/c1-3-5-11-12(4-2)15-9-10-8-13-6-7-14(10)11/h3-5,10,13H,1,6-9H2,2H3/b11-5+,12-4+
InChIKeyCBIYKZFLIGKEBR-TZBUTISVSA-N
MW206.29 g/mol
LogP1.26
Rot. Bonds1

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

(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine (PubChem CID 155694985) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is (3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
PubChem CID155694985
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name(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
InChIInChI=1S/C12H18N2O/c1-3-5-11-12(4-2)15-9-10-8-13-6-7-14(10)11/h3-5,10,13H,1,6-9H2,2H3/b11-5+,12-4+
InChIKeyCBIYKZFLIGKEBR-TZBUTISVSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (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 (3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine (CID 155694985) is (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 (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 (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.
What is the InChIKey of (3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine?
The InChIKey is CBIYKZFLIGKEBR-TZBUTISVSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-5-11-12(4-2)15-9-10-8-13-6-7-14(10)11/h3-5,10,13H,1,6-9H2,2H3/b11-5+,12-4+.
What are the key properties of (3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine?
(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 206.29 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (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 155694985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).