5,6-bis(prop-2-enyl)quinoxaline-2,3-dione

C14H12N2O2 — CID 68591592

IUPAC5,6-bis(prop-2-enyl)quinoxaline-2,3-dione
SMILESC=CCc1ccc2c(c1CC=C)=NC(=O)C(=O)N=2
InChIInChI=1S/C14H12N2O2/c1-3-5-9-7-8-11-12(10(9)6-4-2)16-14(18)13(17)15-11/h3-4,7-8H,1-2,5-6H2
InChIKeyXCLKSROBTRQMIU-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.45
Rot. Bonds4

About 5,6-bis(prop-2-enyl)quinoxaline-2,3-dione

5,6-bis(prop-2-enyl)quinoxaline-2,3-dione (PubChem CID 68591592) has the molecular formula C14H12N2O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 5,6-bis(prop-2-enyl)quinoxaline-2,3-dione.

Molecular Properties

Compound Name5,6-bis(prop-2-enyl)quinoxaline-2,3-dione
PubChem CID68591592
Molecular FormulaC14H12N2O2
Molecular Weight240.26 g/mol
Exact Mass240.09
IUPAC Name5,6-bis(prop-2-enyl)quinoxaline-2,3-dione
SMILESC=CCc1ccc2c(c1CC=C)=NC(=O)C(=O)N=2
InChIInChI=1S/C14H12N2O2/c1-3-5-9-7-8-11-12(10(9)6-4-2)16-14(18)13(17)15-11/h3-4,7-8H,1-2,5-6H2
InChIKeyXCLKSROBTRQMIU-UHFFFAOYSA-N
XLogP0.45
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(prop-2-enyl)quinoxaline-2,3-dione?
The IUPAC name of 5,6-bis(prop-2-enyl)quinoxaline-2,3-dione (CID 68591592) is 5,6-bis(prop-2-enyl)quinoxaline-2,3-dione.
What is the SMILES notation for 5,6-bis(prop-2-enyl)quinoxaline-2,3-dione?
The canonical SMILES for 5,6-bis(prop-2-enyl)quinoxaline-2,3-dione is C=CCc1ccc2c(c1CC=C)=NC(=O)C(=O)N=2.
What is the InChIKey of 5,6-bis(prop-2-enyl)quinoxaline-2,3-dione?
The InChIKey is XCLKSROBTRQMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O2/c1-3-5-9-7-8-11-12(10(9)6-4-2)16-14(18)13(17)15-11/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 5,6-bis(prop-2-enyl)quinoxaline-2,3-dione?
5,6-bis(prop-2-enyl)quinoxaline-2,3-dione has a molecular weight of 240.26 g/mol, XLogP of 0.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(prop-2-enyl)quinoxaline-2,3-dione is sourced from PubChem (CID 68591592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).