1-aminopyrrole-2,5-dione

C4H4N2O2 — CID 574322

IUPAC1-aminopyrrole-2,5-dione
SMILESNN1C(=O)C=CC1=O
InChIInChI=1S/C4H4N2O2/c5-6-3(7)1-2-4(6)8/h1-2H,5H2
InChIKeyIKUYBNVFDFWORF-UHFFFAOYSA-N
MW112.09 g/mol
LogP-1.21
Rot. Bonds

About 1-aminopyrrole-2,5-dione

1-aminopyrrole-2,5-dione (PubChem CID 574322) has the molecular formula C4H4N2O2 and a molecular weight of 112.09 g/mol. Its IUPAC name is 1-aminopyrrole-2,5-dione.

Molecular Properties

Compound Name1-aminopyrrole-2,5-dione
PubChem CID574322
Molecular FormulaC4H4N2O2
Molecular Weight112.09 g/mol
Exact Mass112.03
IUPAC Name1-aminopyrrole-2,5-dione
SMILESNN1C(=O)C=CC1=O
InChIInChI=1S/C4H4N2O2/c5-6-3(7)1-2-4(6)8/h1-2H,5H2
InChIKeyIKUYBNVFDFWORF-UHFFFAOYSA-N
XLogP-1.21
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.09
LogP ≤ 5-1.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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CID 57130435
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Frequently Asked Questions

What is the IUPAC name of 1-aminopyrrole-2,5-dione?
The IUPAC name of 1-aminopyrrole-2,5-dione (CID 574322) is 1-aminopyrrole-2,5-dione.
What is the SMILES notation for 1-aminopyrrole-2,5-dione?
The canonical SMILES for 1-aminopyrrole-2,5-dione is NN1C(=O)C=CC1=O.
What is the InChIKey of 1-aminopyrrole-2,5-dione?
The InChIKey is IKUYBNVFDFWORF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N2O2/c5-6-3(7)1-2-4(6)8/h1-2H,5H2.
What are the key properties of 1-aminopyrrole-2,5-dione?
1-aminopyrrole-2,5-dione has a molecular weight of 112.09 g/mol, XLogP of -1.21, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopyrrole-2,5-dione is sourced from PubChem (CID 574322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).