4-nitrofuran-3-amine

C4H4N2O3 — CID 55290345

IUPAC4-nitrofuran-3-amine
SMILESNc1cocc1[N+](=O)[O-]
InChIInChI=1S/C4H4N2O3/c5-3-1-9-2-4(3)6(7)8/h1-2H,5H2
InChIKeyYJSAYKGHOLJHSJ-UHFFFAOYSA-N
MW128.09 g/mol
LogP0.77
Rot. Bonds1

About 4-nitrofuran-3-amine

4-nitrofuran-3-amine (PubChem CID 55290345) has the molecular formula C4H4N2O3 and a molecular weight of 128.09 g/mol. Its IUPAC name is 4-nitrofuran-3-amine.

Molecular Properties

Compound Name4-nitrofuran-3-amine
PubChem CID55290345
Molecular FormulaC4H4N2O3
Molecular Weight128.09 g/mol
Exact Mass128.02
IUPAC Name4-nitrofuran-3-amine
SMILESNc1cocc1[N+](=O)[O-]
InChIInChI=1S/C4H4N2O3/c5-3-1-9-2-4(3)6(7)8/h1-2H,5H2
InChIKeyYJSAYKGHOLJHSJ-UHFFFAOYSA-N
XLogP0.77
TPSA82.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.09
LogP ≤ 50.77
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 4-nitrofuran-3-amine?
The IUPAC name of 4-nitrofuran-3-amine (CID 55290345) is 4-nitrofuran-3-amine.
What is the SMILES notation for 4-nitrofuran-3-amine?
The canonical SMILES for 4-nitrofuran-3-amine is Nc1cocc1[N+](=O)[O-].
What is the InChIKey of 4-nitrofuran-3-amine?
The InChIKey is YJSAYKGHOLJHSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O3/c5-3-1-9-2-4(3)6(7)8/h1-2H,5H2.
What are the key properties of 4-nitrofuran-3-amine?
4-nitrofuran-3-amine has a molecular weight of 128.09 g/mol, XLogP of 0.77, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitrofuran-3-amine is sourced from PubChem (CID 55290345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).