(3E,4E)-3-ethylidene-4-prop-2-enylidene-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one

C12H16N2O2 — CID 142373395

IUPAC(3E,4E)-3-ethylidene-4-prop-2-enylidene-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one
SMILESC=C/C=C1C(=C/C)\OCC2CNCC(=O)N\12
InChIInChI=1S/C12H16N2O2/c1-3-5-10-11(4-2)16-8-9-6-13-7-12(15)14(9)10/h3-5,9,13H,1,6-8H2,2H3/b10-5+,11-4+
InChIKeyPGRJOCWXYYEUPW-HRCIMPOESA-N
MW220.27 g/mol
LogP0.79
Rot. Bonds1

About (3E,4E)-3-ethylidene-4-prop-2-enylidene-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one

(3E,4E)-3-ethylidene-4-prop-2-enylidene-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one (PubChem CID 142373395) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (3E,4E)-3-ethylidene-4-prop-2-enylidene-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one.

Molecular Properties

Compound Name(3E,4E)-3-ethylidene-4-prop-2-enylidene-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one
PubChem CID142373395
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(3E,4E)-3-ethylidene-4-prop-2-enylidene-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one
SMILESC=C/C=C1C(=C/C)\OCC2CNCC(=O)N\12
InChIInChI=1S/C12H16N2O2/c1-3-5-10-11(4-2)16-8-9-6-13-7-12(15)14(9)10/h3-5,9,13H,1,6-8H2,2H3/b10-5+,11-4+
InChIKeyPGRJOCWXYYEUPW-HRCIMPOESA-N
XLogP0.79
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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;(3E,4E)-3-ethylidene-4-prop-2-ynylidene-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one;molecular hydrogen
CID 145330808
ethane;(4E)-3-methylidene-4-(2-methylprop-2-enylidene)-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one
CID 145330815
(3E,4E)-3-ethylidene-4-[(E)-3-methylpent-2-enylidene]-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one
CID 145348570
ethane;(3E,4E)-3-ethylidene-4-prop-2-enylidene-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 155694984
(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
potassium 2-(3,7-dihydro-2H-1,4-benzoxazin-7-id-4-yl)-N-propan-2-ylacetamide
CID 167447377
(3E,4E)-3,4-bis(prop-2-enylidene)-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
CID 169898183
(3E,4E)-3-ethylidene-4-prop-2-ynylidene-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one
CID 145330809
(4E)-3-methylidene-4-(2-methylprop-2-enylidene)-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one
CID 145330816
(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 (3E,4E)-3-ethylidene-4-prop-2-enylidene-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one?
The IUPAC name of (3E,4E)-3-ethylidene-4-prop-2-enylidene-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one (CID 142373395) is (3E,4E)-3-ethylidene-4-prop-2-enylidene-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one.
What is the SMILES notation for (3E,4E)-3-ethylidene-4-prop-2-enylidene-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one?
The canonical SMILES for (3E,4E)-3-ethylidene-4-prop-2-enylidene-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one is C=C/C=C1C(=C/C)\OCC2CNCC(=O)N\12.
What is the InChIKey of (3E,4E)-3-ethylidene-4-prop-2-enylidene-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one?
The InChIKey is PGRJOCWXYYEUPW-HRCIMPOESA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-5-10-11(4-2)16-8-9-6-13-7-12(15)14(9)10/h3-5,9,13H,1,6-8H2,2H3/b10-5+,11-4+.
What are the key properties of (3E,4E)-3-ethylidene-4-prop-2-enylidene-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one?
(3E,4E)-3-ethylidene-4-prop-2-enylidene-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one has a molecular weight of 220.27 g/mol, XLogP of 0.79, 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-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one is sourced from PubChem (CID 142373395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).