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

C12H16N2O2 — CID 145330816

IUPAC(4E)-3-methylidene-4-(2-methylprop-2-enylidene)-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one
SMILESC=C(C)/C=C1\C(=C)OCC2CNCC(=O)N12
InChIInChI=1S/C12H16N2O2/c1-8(2)4-11-9(3)16-7-10-5-13-6-12(15)14(10)11/h4,10,13H,1,3,5-7H2,2H3/b11-4+
InChIKeyQPCLIHWERRPZFS-NYYWCZLTSA-N
MW220.27 g/mol
LogP0.79
Rot. Bonds1

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

(4E)-3-methylidene-4-(2-methylprop-2-enylidene)-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one (PubChem CID 145330816) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (4E)-3-methylidene-4-(2-methylprop-2-enylidene)-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one.

Molecular Properties

Compound Name(4E)-3-methylidene-4-(2-methylprop-2-enylidene)-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one
PubChem CID145330816
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(4E)-3-methylidene-4-(2-methylprop-2-enylidene)-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one
SMILESC=C(C)/C=C1\C(=C)OCC2CNCC(=O)N12
InChIInChI=1S/C12H16N2O2/c1-8(2)4-11-9(3)16-7-10-5-13-6-12(15)14(10)11/h4,10,13H,1,3,5-7H2,2H3/b11-4+
InChIKeyQPCLIHWERRPZFS-NYYWCZLTSA-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

Analyze (4E)-3-methylidene-4-(2-methylprop-2-enylidene)-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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;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-ethylidene-4-[(E)-3-methylpent-2-enylidene]-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one
CID 145348570
(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

Frequently Asked Questions

What is the IUPAC name of (4E)-3-methylidene-4-(2-methylprop-2-enylidene)-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one?
The IUPAC name of (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) is (4E)-3-methylidene-4-(2-methylprop-2-enylidene)-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one.
What is the SMILES notation for (4E)-3-methylidene-4-(2-methylprop-2-enylidene)-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one?
The canonical SMILES for (4E)-3-methylidene-4-(2-methylprop-2-enylidene)-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one is C=C(C)/C=C1\C(=C)OCC2CNCC(=O)N12.
What is the InChIKey of (4E)-3-methylidene-4-(2-methylprop-2-enylidene)-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one?
The InChIKey is QPCLIHWERRPZFS-NYYWCZLTSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-8(2)4-11-9(3)16-7-10-5-13-6-12(15)14(10)11/h4,10,13H,1,3,5-7H2,2H3/b11-4+.
What are the key properties of (4E)-3-methylidene-4-(2-methylprop-2-enylidene)-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one?
(4E)-3-methylidene-4-(2-methylprop-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 (4E)-3-methylidene-4-(2-methylprop-2-enylidene)-7,8,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-6-one is sourced from PubChem (CID 145330816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).