2-hydroxyimino-1-(5-nitrofuran-2-yl)ethanone

C6H4N2O5 — CID 23262869

IUPAC2-hydroxyimino-1-(5-nitrofuran-2-yl)ethanone
SMILESO=C(C=NO)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H4N2O5/c9-4(3-7-10)5-1-2-6(13-5)8(11)12/h1-3,10H
InChIKeyHSJSEXWTKIWELI-UHFFFAOYSA-N
MW184.11 g/mol
LogP0.83
Rot. Bonds3

About 2-hydroxyimino-1-(5-nitrofuran-2-yl)ethanone

2-hydroxyimino-1-(5-nitrofuran-2-yl)ethanone (PubChem CID 23262869) has the molecular formula C6H4N2O5 and a molecular weight of 184.11 g/mol. Its IUPAC name is 2-hydroxyimino-1-(5-nitrofuran-2-yl)ethanone.

Molecular Properties

Compound Name2-hydroxyimino-1-(5-nitrofuran-2-yl)ethanone
PubChem CID23262869
Molecular FormulaC6H4N2O5
Molecular Weight184.11 g/mol
Exact Mass184.01
IUPAC Name2-hydroxyimino-1-(5-nitrofuran-2-yl)ethanone
SMILESO=C(C=NO)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C6H4N2O5/c9-4(3-7-10)5-1-2-6(13-5)8(11)12/h1-3,10H
InChIKeyHSJSEXWTKIWELI-UHFFFAOYSA-N
XLogP0.83
TPSA105.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.11
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

Nifuroxime
CID 5373493
5-Nitrofurfural
CID 12774
5-Nitro-2-furaldoxime
CID 6478035
Nifurmerone
CID 21753
2-Nitro-5-((1E)-2-nitroethenyl)furan
CID 5355406
2-Acetyl-5-nitrofuran
CID 21348
2-Furancarboxaldehyde, 5-nitro-, hydrazone (9CI)
CID 9561450
5-Nitro-2-furaldehyde oxime
CID 22601
1-(5-Nitro-2-furyl)-1-pentanone
CID 228591
2-Nitro-5-(nitrosomethyl)furan
CID 16760200
N-methyl-1-(5-nitrofuran-2-yl)methanimine oxide
CID 2129479
N-methyl-1-(5-nitrofuran-2-yl)methanimine oxide
CID 2330225

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-1-(5-nitrofuran-2-yl)ethanone?
The IUPAC name of 2-hydroxyimino-1-(5-nitrofuran-2-yl)ethanone (CID 23262869) is 2-hydroxyimino-1-(5-nitrofuran-2-yl)ethanone.
What is the SMILES notation for 2-hydroxyimino-1-(5-nitrofuran-2-yl)ethanone?
The canonical SMILES for 2-hydroxyimino-1-(5-nitrofuran-2-yl)ethanone is O=C(C=NO)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 2-hydroxyimino-1-(5-nitrofuran-2-yl)ethanone?
The InChIKey is HSJSEXWTKIWELI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O5/c9-4(3-7-10)5-1-2-6(13-5)8(11)12/h1-3,10H.
What are the key properties of 2-hydroxyimino-1-(5-nitrofuran-2-yl)ethanone?
2-hydroxyimino-1-(5-nitrofuran-2-yl)ethanone has a molecular weight of 184.11 g/mol, XLogP of 0.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyimino-1-(5-nitrofuran-2-yl)ethanone is sourced from PubChem (CID 23262869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).