5-nitrofuran-2-carboxamide

C5H4N2O4 — CID 12792

IUPAC5-nitrofuran-2-carboxamide
SMILESNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H4N2O4/c6-5(8)3-1-2-4(11-3)7(9)10/h1-2H,(H2,6,8)
InChIKeyJMXRGHVWQMFKQW-UHFFFAOYSA-N
MW156.10 g/mol
LogP0.29
Rot. Bonds2

About 5-nitrofuran-2-carboxamide

5-nitrofuran-2-carboxamide (PubChem CID 12792) has the molecular formula C5H4N2O4 and a molecular weight of 156.10 g/mol. Its IUPAC name is 5-nitrofuran-2-carboxamide.

Molecular Properties

Compound Name5-nitrofuran-2-carboxamide
PubChem CID12792
Molecular FormulaC5H4N2O4
Molecular Weight156.10 g/mol
Exact Mass156.02
IUPAC Name5-nitrofuran-2-carboxamide
SMILESNC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C5H4N2O4/c6-5(8)3-1-2-4(11-3)7(9)10/h1-2H,(H2,6,8)
InChIKeyJMXRGHVWQMFKQW-UHFFFAOYSA-N
XLogP0.29
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.10
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 5-nitrofuran-2-carboxamide?
The IUPAC name of 5-nitrofuran-2-carboxamide (CID 12792) is 5-nitrofuran-2-carboxamide.
What is the SMILES notation for 5-nitrofuran-2-carboxamide?
The canonical SMILES for 5-nitrofuran-2-carboxamide is NC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 5-nitrofuran-2-carboxamide?
The InChIKey is JMXRGHVWQMFKQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O4/c6-5(8)3-1-2-4(11-3)7(9)10/h1-2H,(H2,6,8).
What are the key properties of 5-nitrofuran-2-carboxamide?
5-nitrofuran-2-carboxamide has a molecular weight of 156.10 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitrofuran-2-carboxamide is sourced from PubChem (CID 12792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).