1-ethyl-4-[(E)-hex-3-enyl]quinoxaline-2,3-dione

C16H20N2O2 — CID 167880209

IUPAC1-ethyl-4-[(E)-hex-3-enyl]quinoxaline-2,3-dione
SMILESCC/C=C/CCn1c(=O)c(=O)n(CC)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-3-5-6-9-12-18-14-11-8-7-10-13(14)17(4-2)15(19)16(18)20/h5-8,10-11H,3-4,9,12H2,1-2H3/b6-5+
InChIKeyWYDGPLKQWOBVOA-AATRIKPKSA-N
MW272.35 g/mol
LogP2.54
Rot. Bonds5

About 1-ethyl-4-[(E)-hex-3-enyl]quinoxaline-2,3-dione

1-ethyl-4-[(E)-hex-3-enyl]quinoxaline-2,3-dione (PubChem CID 167880209) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-ethyl-4-[(E)-hex-3-enyl]quinoxaline-2,3-dione.

Molecular Properties

Compound Name1-ethyl-4-[(E)-hex-3-enyl]quinoxaline-2,3-dione
PubChem CID167880209
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-ethyl-4-[(E)-hex-3-enyl]quinoxaline-2,3-dione
SMILESCC/C=C/CCn1c(=O)c(=O)n(CC)c2ccccc21
InChIInChI=1S/C16H20N2O2/c1-3-5-6-9-12-18-14-11-8-7-10-13(14)17(4-2)15(19)16(18)20/h5-8,10-11H,3-4,9,12H2,1-2H3/b6-5+
InChIKeyWYDGPLKQWOBVOA-AATRIKPKSA-N
XLogP2.54
TPSA44.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[(E)-hex-3-enyl]quinoxaline-2,3-dione?
The IUPAC name of 1-ethyl-4-[(E)-hex-3-enyl]quinoxaline-2,3-dione (CID 167880209) is 1-ethyl-4-[(E)-hex-3-enyl]quinoxaline-2,3-dione.
What is the SMILES notation for 1-ethyl-4-[(E)-hex-3-enyl]quinoxaline-2,3-dione?
The canonical SMILES for 1-ethyl-4-[(E)-hex-3-enyl]quinoxaline-2,3-dione is CC/C=C/CCn1c(=O)c(=O)n(CC)c2ccccc21.
What is the InChIKey of 1-ethyl-4-[(E)-hex-3-enyl]quinoxaline-2,3-dione?
The InChIKey is WYDGPLKQWOBVOA-AATRIKPKSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-3-5-6-9-12-18-14-11-8-7-10-13(14)17(4-2)15(19)16(18)20/h5-8,10-11H,3-4,9,12H2,1-2H3/b6-5+.
What are the key properties of 1-ethyl-4-[(E)-hex-3-enyl]quinoxaline-2,3-dione?
1-ethyl-4-[(E)-hex-3-enyl]quinoxaline-2,3-dione has a molecular weight of 272.35 g/mol, XLogP of 2.54, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[(E)-hex-3-enyl]quinoxaline-2,3-dione is sourced from PubChem (CID 167880209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).