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Molecule record

2-nitro-1H-pyrrole

C4H4N2O2

112.09 g/mol

Loading structure

Molecular properties

Formula
C4H4N2O2
Molar mass
112.09 g·mol−1
Exact mass
112.0273 Da
4
PubChem CID
96706

Functional groups

Nitro compound

Physical properties

No source-backed physical properties are curated for this molecule yet.

Common names and synonyms

  • 1H-Pyrrole, 2-nitro-
  • 1H-Pyrrole, 2-nitro- (9CI)
  • 2-Nitropyrrole
  • 5919-26-6
  • AKOS006352081
  • AKOS015920232
  • AKOS025394764
  • CHEMBL1651441
Show all 24 synonyms
  • CS-W006647
  • DB-072601
  • DS-17048
  • DTXSID30207929
  • MFCD12923841
  • NSC 87241
  • NSC87241
  • Pyrrole, 2-nitro-
  • RefChem:477139
  • SCHEMBL1033358
  • SCHEMBL2039720
  • SCHEMBL2042496
  • SCHEMBL2044961
  • SCHEMBL29064
  • SY016169
  • nitroazole

Structure identifiers

Canonical SMILES
O=[N+]([O-])c1ccc[nH]1
Isomeric SMILES
C1=CNC(=C1)[N+](=O)[O-]
InChI
InChI=1S/C4H4N2O2/c7-6(8)4-2-1-3-5-4/h1-3,5H
InChIKey
FTBBGQKRYUTLMP-UHFFFAOYSA-N
PubChem CID
96706

Spectroscopy

Tabs appear only for spectra stored with clear provenance.

Open library
No redistributable or simulated spectroscopy record is attached yet.

Simulated NMR

On-demand educational prediction for 2-nitro-1H-pyrrole; not experimental data.

Simulated EI mass spectrum

On-demand educational fragmentation for 2-nitro-1H-pyrrole; not experimental data.

Sources

Molecule identity

Retrieved 8/20/2026. Reuse status is summarized by the badge; open the source for full details.

PubChem(link only)
Open source record