(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

C15H22N2O2 — CID 145348570

IUPAC(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
SMILESC/C=C1/OCC2CNCC(=O)N2/C1=C/C=C(\C)CC
InChIInChI=1S/C15H22N2O2/c1-4-11(3)6-7-13-14(5-2)19-10-12-8-16-9-15(18)17(12)13/h5-7,12,16H,4,8-10H2,1-3H3/b11-6+,13-7+,14-5+
InChIKeyJDZBDNYIEQNNPJ-RNCILTCESA-N
MW262.35 g/mol
LogP1.96
Rot. Bonds2

About (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

(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 (PubChem CID 145348570) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is (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.

Molecular Properties

Compound Name(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
PubChem CID145348570
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name(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
SMILESC/C=C1/OCC2CNCC(=O)N2/C1=C/C=C(\C)CC
InChIInChI=1S/C15H22N2O2/c1-4-11(3)6-7-13-14(5-2)19-10-12-8-16-9-15(18)17(12)13/h5-7,12,16H,4,8-10H2,1-3H3/b11-6+,13-7+,14-5+
InChIKeyJDZBDNYIEQNNPJ-RNCILTCESA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (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 with MolForge

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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;molecular hydrogen;9-oxa-2,5-diazatricyclo[8.5.0.02,7]pentadeca-1(15),10,12-triene
CID 142373538
Ethane;molecular hydrogen;11-oxa-4,7-diazatetracyclo[12.1.1.03,12.04,9]hexadeca-2,12-dien-5-one
CID 142373704
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)-3,4-bis(prop-2-enylidene)-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one
CID 166954061
(3E,4E)-3-ethylidene-4-prop-2-enylidene-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one
CID 142373395
11-Oxa-4,7-diazatetracyclo[12.1.1.03,12.04,9]hexadeca-2,12-dien-5-one
CID 142373705
(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

Frequently Asked Questions

What is the IUPAC name of (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?
The IUPAC name of (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) is (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.
What is the SMILES notation for (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?
The canonical SMILES for (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 is C/C=C1/OCC2CNCC(=O)N2/C1=C/C=C(\C)CC.
What is the InChIKey of (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?
The InChIKey is JDZBDNYIEQNNPJ-RNCILTCESA-N. The full InChI is InChI=1S/C15H22N2O2/c1-4-11(3)6-7-13-14(5-2)19-10-12-8-16-9-15(18)17(12)13/h5-7,12,16H,4,8-10H2,1-3H3/b11-6+,13-7+,14-5+.
What are the key properties of (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?
(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 has a molecular weight of 262.35 g/mol, XLogP of 1.96, 2 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-[(E)-3-methylpent-2-enylidene]-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one is sourced from PubChem (CID 145348570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).