3-[(2-oxopyrrol-3-yl)diazenyl]pyrrol-2-one

C8H4N4O2 — CID 88830096

IUPAC3-[(2-oxopyrrol-3-yl)diazenyl]pyrrol-2-one
SMILESO=C1N=CC=C1/N=N/C1=CC=NC1=O
InChIInChI=1S/C8H4N4O2/c13-7-5(1-3-9-7)11-12-6-2-4-10-8(6)14/h1-4H/b12-11+
InChIKeyANVSVKMINLMDMM-VAWYXSNFSA-N
MW188.15 g/mol
LogP0.43
Rot. Bonds2

About 3-[(2-oxopyrrol-3-yl)diazenyl]pyrrol-2-one

3-[(2-oxopyrrol-3-yl)diazenyl]pyrrol-2-one (PubChem CID 88830096) has the molecular formula C8H4N4O2 and a molecular weight of 188.15 g/mol. Its IUPAC name is 3-[(2-oxopyrrol-3-yl)diazenyl]pyrrol-2-one.

Molecular Properties

Compound Name3-[(2-oxopyrrol-3-yl)diazenyl]pyrrol-2-one
PubChem CID88830096
Molecular FormulaC8H4N4O2
Molecular Weight188.15 g/mol
Exact Mass188.03
IUPAC Name3-[(2-oxopyrrol-3-yl)diazenyl]pyrrol-2-one
SMILESO=C1N=CC=C1/N=N/C1=CC=NC1=O
InChIInChI=1S/C8H4N4O2/c13-7-5(1-3-9-7)11-12-6-2-4-10-8(6)14/h1-4H/b12-11+
InChIKeyANVSVKMINLMDMM-VAWYXSNFSA-N
XLogP0.43
TPSA83.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.15
LogP ≤ 50.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

Analyze 3-[(2-oxopyrrol-3-yl)diazenyl]pyrrol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(2-oxopyrrol-3-yl)diazenyl]pyrrol-2-one?
The IUPAC name of 3-[(2-oxopyrrol-3-yl)diazenyl]pyrrol-2-one (CID 88830096) is 3-[(2-oxopyrrol-3-yl)diazenyl]pyrrol-2-one.
What is the SMILES notation for 3-[(2-oxopyrrol-3-yl)diazenyl]pyrrol-2-one?
The canonical SMILES for 3-[(2-oxopyrrol-3-yl)diazenyl]pyrrol-2-one is O=C1N=CC=C1/N=N/C1=CC=NC1=O.
What is the InChIKey of 3-[(2-oxopyrrol-3-yl)diazenyl]pyrrol-2-one?
The InChIKey is ANVSVKMINLMDMM-VAWYXSNFSA-N. The full InChI is InChI=1S/C8H4N4O2/c13-7-5(1-3-9-7)11-12-6-2-4-10-8(6)14/h1-4H/b12-11+.
What are the key properties of 3-[(2-oxopyrrol-3-yl)diazenyl]pyrrol-2-one?
3-[(2-oxopyrrol-3-yl)diazenyl]pyrrol-2-one has a molecular weight of 188.15 g/mol, XLogP of 0.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-oxopyrrol-3-yl)diazenyl]pyrrol-2-one is sourced from PubChem (CID 88830096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).