1-(aminodiazenyl)pyrrole-2,5-dione

C4H4N4O2 — CID 20637221

IUPAC1-(aminodiazenyl)pyrrole-2,5-dione
SMILESNN=NN1C(=O)C=CC1=O
InChIInChI=1S/C4H4N4O2/c5-6-7-8-3(9)1-2-4(8)10/h1-2H,(H2,5,7)
InChIKeyYKTHKLHRKWVVHW-UHFFFAOYSA-N
MW140.10 g/mol
LogP-0.85
Rot. Bonds1

About 1-(aminodiazenyl)pyrrole-2,5-dione

1-(aminodiazenyl)pyrrole-2,5-dione (PubChem CID 20637221) has the molecular formula C4H4N4O2 and a molecular weight of 140.10 g/mol. Its IUPAC name is 1-(aminodiazenyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(aminodiazenyl)pyrrole-2,5-dione
PubChem CID20637221
Molecular FormulaC4H4N4O2
Molecular Weight140.10 g/mol
Exact Mass140.03
IUPAC Name1-(aminodiazenyl)pyrrole-2,5-dione
SMILESNN=NN1C(=O)C=CC1=O
InChIInChI=1S/C4H4N4O2/c5-6-7-8-3(9)1-2-4(8)10/h1-2H,(H2,5,7)
InChIKeyYKTHKLHRKWVVHW-UHFFFAOYSA-N
XLogP-0.85
TPSA88.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.10
LogP ≤ 5-0.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(aminodiazenyl)pyrrole-2,5-dione?
The IUPAC name of 1-(aminodiazenyl)pyrrole-2,5-dione (CID 20637221) is 1-(aminodiazenyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(aminodiazenyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(aminodiazenyl)pyrrole-2,5-dione is NN=NN1C(=O)C=CC1=O.
What is the InChIKey of 1-(aminodiazenyl)pyrrole-2,5-dione?
The InChIKey is YKTHKLHRKWVVHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N4O2/c5-6-7-8-3(9)1-2-4(8)10/h1-2H,(H2,5,7).
What are the key properties of 1-(aminodiazenyl)pyrrole-2,5-dione?
1-(aminodiazenyl)pyrrole-2,5-dione has a molecular weight of 140.10 g/mol, XLogP of -0.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminodiazenyl)pyrrole-2,5-dione is sourced from PubChem (CID 20637221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).