3-nitrofuran

C4H3NO3 — CID 13268157

IUPAC3-nitrofuran
SMILESO=[N+]([O-])c1ccoc1
InChIInChI=1S/C4H3NO3/c6-5(7)4-1-2-8-3-4/h1-3H
InChIKeyMUXGHJAVVZIQNB-UHFFFAOYSA-N
MW113.07 g/mol
LogP1.19
Rot. Bonds1

About 3-nitrofuran

3-nitrofuran (PubChem CID 13268157) has the molecular formula C4H3NO3 and a molecular weight of 113.07 g/mol. Its IUPAC name is 3-nitrofuran.

Molecular Properties

Compound Name3-nitrofuran
PubChem CID13268157
Molecular FormulaC4H3NO3
Molecular Weight113.07 g/mol
Exact Mass113.01
IUPAC Name3-nitrofuran
SMILESO=[N+]([O-])c1ccoc1
InChIInChI=1S/C4H3NO3/c6-5(7)4-1-2-8-3-4/h1-3H
InChIKeyMUXGHJAVVZIQNB-UHFFFAOYSA-N
XLogP1.19
TPSA56.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.07
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-Isocyanatofuran
CID 11528335
2-Chloro-3-nitrofuran
CID 18760385
Dinitrofuran
CID 19879835
3-Furanamine
CID 19962876
4-Nitrofuran-2-ol
CID 91496087
2,4-Dinitrofuran
CID 119095399
5-(3-Nitro-2-furyl)acrylate
CID 129698270
2-Chloro-3-nitrosofuran
CID 21560228
2-Bromo-3-nitrosofuran
CID 21560250
N-methoxyfuran-3-amine
CID 22088028
N-(furan-3-yl)hydroxylamine
CID 57265999
3-Isocyanofuran
CID 59999728

Frequently Asked Questions

What is the IUPAC name of 3-nitrofuran?
The IUPAC name of 3-nitrofuran (CID 13268157) is 3-nitrofuran.
What is the SMILES notation for 3-nitrofuran?
The canonical SMILES for 3-nitrofuran is O=[N+]([O-])c1ccoc1.
What is the InChIKey of 3-nitrofuran?
The InChIKey is MUXGHJAVVZIQNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3NO3/c6-5(7)4-1-2-8-3-4/h1-3H.
What are the key properties of 3-nitrofuran?
3-nitrofuran has a molecular weight of 113.07 g/mol, XLogP of 1.19, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrofuran is sourced from PubChem (CID 13268157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).