4-ethenyl-1H-pyrrole-2,3-dione

C6H5NO2 — CID 23179936

IUPAC4-ethenyl-1H-pyrrole-2,3-dione
SMILESC=CC1=CNC(=O)C1=O
InChIInChI=1S/C6H5NO2/c1-2-4-3-7-6(9)5(4)8/h2-3H,1H2,(H,7,8,9)
InChIKeyLOEGJUJURJSFGQ-UHFFFAOYSA-N
MW123.11 g/mol
LogP-0.24
Rot. Bonds1

About 4-ethenyl-1H-pyrrole-2,3-dione

4-ethenyl-1H-pyrrole-2,3-dione (PubChem CID 23179936) has the molecular formula C6H5NO2 and a molecular weight of 123.11 g/mol. Its IUPAC name is 4-ethenyl-1H-pyrrole-2,3-dione.

Molecular Properties

Compound Name4-ethenyl-1H-pyrrole-2,3-dione
PubChem CID23179936
Molecular FormulaC6H5NO2
Molecular Weight123.11 g/mol
Exact Mass123.03
IUPAC Name4-ethenyl-1H-pyrrole-2,3-dione
SMILESC=CC1=CNC(=O)C1=O
InChIInChI=1S/C6H5NO2/c1-2-4-3-7-6(9)5(4)8/h2-3H,1H2,(H,7,8,9)
InChIKeyLOEGJUJURJSFGQ-UHFFFAOYSA-N
XLogP-0.24
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.11
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_fives(89)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 4-ethenyl-1H-pyrrole-2,3-dione 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 4-ethenyl-1H-pyrrole-2,3-dione?
The IUPAC name of 4-ethenyl-1H-pyrrole-2,3-dione (CID 23179936) is 4-ethenyl-1H-pyrrole-2,3-dione.
What is the SMILES notation for 4-ethenyl-1H-pyrrole-2,3-dione?
The canonical SMILES for 4-ethenyl-1H-pyrrole-2,3-dione is C=CC1=CNC(=O)C1=O.
What is the InChIKey of 4-ethenyl-1H-pyrrole-2,3-dione?
The InChIKey is LOEGJUJURJSFGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO2/c1-2-4-3-7-6(9)5(4)8/h2-3H,1H2,(H,7,8,9).
What are the key properties of 4-ethenyl-1H-pyrrole-2,3-dione?
4-ethenyl-1H-pyrrole-2,3-dione has a molecular weight of 123.11 g/mol, XLogP of -0.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1H-pyrrole-2,3-dione is sourced from PubChem (CID 23179936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).