8-[(2E)-2-ethenylpenta-2,4-dienyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one

C14H20N2O2 — CID 142444899

IUPAC8-[(2E)-2-ethenylpenta-2,4-dienyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
SMILESC=C/C=C(\C=C)CN1CCN2C(=O)COCC2C1
InChIInChI=1S/C14H20N2O2/c1-3-5-12(4-2)8-15-6-7-16-13(9-15)10-18-11-14(16)17/h3-5,13H,1-2,6-11H2/b12-5+
InChIKeyKUSSSUJRZNRATH-LFYBBSHMSA-N
MW248.33 g/mol
LogP0.83
Rot. Bonds4

About 8-[(2E)-2-ethenylpenta-2,4-dienyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one

8-[(2E)-2-ethenylpenta-2,4-dienyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one (PubChem CID 142444899) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is 8-[(2E)-2-ethenylpenta-2,4-dienyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one.

Molecular Properties

Compound Name8-[(2E)-2-ethenylpenta-2,4-dienyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
PubChem CID142444899
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name8-[(2E)-2-ethenylpenta-2,4-dienyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one
SMILESC=C/C=C(\C=C)CN1CCN2C(=O)COCC2C1
InChIInChI=1S/C14H20N2O2/c1-3-5-12(4-2)8-15-6-7-16-13(9-15)10-18-11-14(16)17/h3-5,13H,1-2,6-11H2/b12-5+
InChIKeyKUSSSUJRZNRATH-LFYBBSHMSA-N
XLogP0.83
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-[(2E)-2-ethenylpenta-2,4-dienyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one?
The IUPAC name of 8-[(2E)-2-ethenylpenta-2,4-dienyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one (CID 142444899) is 8-[(2E)-2-ethenylpenta-2,4-dienyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one.
What is the SMILES notation for 8-[(2E)-2-ethenylpenta-2,4-dienyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one?
The canonical SMILES for 8-[(2E)-2-ethenylpenta-2,4-dienyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one is C=C/C=C(\C=C)CN1CCN2C(=O)COCC2C1.
What is the InChIKey of 8-[(2E)-2-ethenylpenta-2,4-dienyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one?
The InChIKey is KUSSSUJRZNRATH-LFYBBSHMSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-3-5-12(4-2)8-15-6-7-16-13(9-15)10-18-11-14(16)17/h3-5,13H,1-2,6-11H2/b12-5+.
What are the key properties of 8-[(2E)-2-ethenylpenta-2,4-dienyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one?
8-[(2E)-2-ethenylpenta-2,4-dienyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one has a molecular weight of 248.33 g/mol, XLogP of 0.83, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2E)-2-ethenylpenta-2,4-dienyl]-6,7,9,9a-tetrahydro-1H-pyrazino[2,1-c][1,4]oxazin-4-one is sourced from PubChem (CID 142444899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).