2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline

C14H9N3O3 — CID 5376326

IUPAC2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline
SMILESO=[N+]([O-])c1ccc(/C=C/c2cnc3ccccc3n2)o1
InChIInChI=1S/C14H9N3O3/c18-17(19)14-8-7-11(20-14)6-5-10-9-15-12-3-1-2-4-13(12)16-10/h1-9H/b6-5+
InChIKeyDBQGSKWMVYTBHW-AATRIKPKSA-N
MW267.24 g/mol
LogP3.30
Rot. Bonds3

About 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline

2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline (PubChem CID 5376326) has the molecular formula C14H9N3O3 and a molecular weight of 267.24 g/mol. Its IUPAC name is 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline.

Molecular Properties

Compound Name2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline
PubChem CID5376326
Molecular FormulaC14H9N3O3
Molecular Weight267.24 g/mol
Exact Mass267.06
IUPAC Name2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline
SMILESO=[N+]([O-])c1ccc(/C=C/c2cnc3ccccc3n2)o1
InChIInChI=1S/C14H9N3O3/c18-17(19)14-8-7-11(20-14)6-5-10-9-15-12-3-1-2-4-13(12)16-10/h1-9H/b6-5+
InChIKeyDBQGSKWMVYTBHW-AATRIKPKSA-N
XLogP3.30
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.24
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(1E,3E)-4-(5-nitrofuran-2-yl)buta-1,3-dienyl]quinoline
CID 6445032
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]-1,3-benzoxazole
CID 14738165
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide
CID 5377642
4-[2-(5-nitrofuran-2-yl)ethenyl]pyrimidin-2-amine
CID 131858262
2-methyl-4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]pyrimidine
CID 121223245
6-nitro-2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline
CID 154036186
N,N-diethyl-2-[2-[(Z)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-4-yl]oxyethanamine
CID 6434485
2-[(Z)-2-bromoethenyl]-5-nitrofuran
CID 6081936
2-[(E)-2-chloroethenyl]-5-nitrofuran
CID 127261425
ethyl 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxylate
CID 5378386
2-methyl-5-[(E)-2-(5-nitrofuran-2-yl)ethenyl]furan
CID 91873040
4-[2-(5-nitrofuran-2-yl)ethenyl]pyridine
CID 131848791

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline?
The IUPAC name of 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline (CID 5376326) is 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline.
What is the SMILES notation for 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline?
The canonical SMILES for 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline is O=[N+]([O-])c1ccc(/C=C/c2cnc3ccccc3n2)o1.
What is the InChIKey of 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline?
The InChIKey is DBQGSKWMVYTBHW-AATRIKPKSA-N. The full InChI is InChI=1S/C14H9N3O3/c18-17(19)14-8-7-11(20-14)6-5-10-9-15-12-3-1-2-4-13(12)16-10/h1-9H/b6-5+.
What are the key properties of 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline?
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline has a molecular weight of 267.24 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoxaline is sourced from PubChem (CID 5376326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).