N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]oxamide

C7H6N4O5 — CID 6165447

IUPACN'-[(E)-(5-nitrofuran-2-yl)methylideneamino]oxamide
SMILESNC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H6N4O5/c8-6(12)7(13)10-9-3-4-1-2-5(16-4)11(14)15/h1-3H,(H2,8,12)(H,10,13)/b9-3+
InChIKeyAJSKOLZKIUMPPG-YCRREMRBSA-N
MW226.15 g/mol
LogP-0.88
Rot. Bonds3

About N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]oxamide

N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]oxamide (PubChem CID 6165447) has the molecular formula C7H6N4O5 and a molecular weight of 226.15 g/mol. Its IUPAC name is N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]oxamide.

Molecular Properties

Compound NameN'-[(E)-(5-nitrofuran-2-yl)methylideneamino]oxamide
PubChem CID6165447
Molecular FormulaC7H6N4O5
Molecular Weight226.15 g/mol
Exact Mass226.03
IUPAC NameN'-[(E)-(5-nitrofuran-2-yl)methylideneamino]oxamide
SMILESNC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C7H6N4O5/c8-6(12)7(13)10-9-3-4-1-2-5(16-4)11(14)15/h1-3H,(H2,8,12)(H,10,13)/b9-3+
InChIKeyAJSKOLZKIUMPPG-YCRREMRBSA-N
XLogP-0.88
TPSA140.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.15
LogP ≤ 5-0.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]oxamide?
The IUPAC name of N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]oxamide (CID 6165447) is N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]oxamide.
What is the SMILES notation for N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]oxamide?
The canonical SMILES for N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]oxamide is NC(=O)C(=O)N/N=C/c1ccc([N+](=O)[O-])o1.
What is the InChIKey of N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]oxamide?
The InChIKey is AJSKOLZKIUMPPG-YCRREMRBSA-N. The full InChI is InChI=1S/C7H6N4O5/c8-6(12)7(13)10-9-3-4-1-2-5(16-4)11(14)15/h1-3H,(H2,8,12)(H,10,13)/b9-3+.
What are the key properties of N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]oxamide?
N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]oxamide has a molecular weight of 226.15 g/mol, XLogP of -0.88, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(E)-(5-nitrofuran-2-yl)methylideneamino]oxamide is sourced from PubChem (CID 6165447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).