4-ethenyl-3-[(Z)-prop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine

C12H18N2O — CID 155016683

IUPAC4-ethenyl-3-[(Z)-prop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
SMILESC=CC1=C(/C=C\C)OCC2CNCCN12
InChIInChI=1S/C12H18N2O/c1-3-5-12-11(4-2)14-7-6-13-8-10(14)9-15-12/h3-5,10,13H,2,6-9H2,1H3/b5-3-
InChIKeyHWGQJXPCKXLONI-HYXAFXHYSA-N
MW206.29 g/mol
LogP1.26
Rot. Bonds2

About 4-ethenyl-3-[(Z)-prop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine

4-ethenyl-3-[(Z)-prop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine (PubChem CID 155016683) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 4-ethenyl-3-[(Z)-prop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine.

Molecular Properties

Compound Name4-ethenyl-3-[(Z)-prop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
PubChem CID155016683
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name4-ethenyl-3-[(Z)-prop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine
SMILESC=CC1=C(/C=C\C)OCC2CNCCN12
InChIInChI=1S/C12H18N2O/c1-3-5-12-11(4-2)14-7-6-13-8-10(14)9-15-12/h3-5,10,13H,2,6-9H2,1H3/b5-3-
InChIKeyHWGQJXPCKXLONI-HYXAFXHYSA-N
XLogP1.26
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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 4-ethenyl-3-[(Z)-prop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine?
The IUPAC name of 4-ethenyl-3-[(Z)-prop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine (CID 155016683) is 4-ethenyl-3-[(Z)-prop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine.
What is the SMILES notation for 4-ethenyl-3-[(Z)-prop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine?
The canonical SMILES for 4-ethenyl-3-[(Z)-prop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine is C=CC1=C(/C=C\C)OCC2CNCCN12.
What is the InChIKey of 4-ethenyl-3-[(Z)-prop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine?
The InChIKey is HWGQJXPCKXLONI-HYXAFXHYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-3-5-12-11(4-2)14-7-6-13-8-10(14)9-15-12/h3-5,10,13H,2,6-9H2,1H3/b5-3-.
What are the key properties of 4-ethenyl-3-[(Z)-prop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine?
4-ethenyl-3-[(Z)-prop-1-enyl]-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, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-3-[(Z)-prop-1-enyl]-1,6,7,8,9,9a-hexahydropyrazino[2,1-c][1,4]oxazine is sourced from PubChem (CID 155016683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).