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

C7H7NO3 — CID 139844925

IUPAC1-(ethenoxymethyl)pyrrole-2,5-dione
SMILESC=COCN1C(=O)C=CC1=O
InChIInChI=1S/C7H7NO3/c1-2-11-5-8-6(9)3-4-7(8)10/h2-4H,1,5H2
InChIKeyKAAUJDBDGXUZES-UHFFFAOYSA-N
MW153.14 g/mol
LogP0.03
Rot. Bonds3

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

1-(ethenoxymethyl)pyrrole-2,5-dione (PubChem CID 139844925) has the molecular formula C7H7NO3 and a molecular weight of 153.14 g/mol. Its IUPAC name is 1-(ethenoxymethyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name1-(ethenoxymethyl)pyrrole-2,5-dione
PubChem CID139844925
Molecular FormulaC7H7NO3
Molecular Weight153.14 g/mol
Exact Mass153.04
IUPAC Name1-(ethenoxymethyl)pyrrole-2,5-dione
SMILESC=COCN1C(=O)C=CC1=O
InChIInChI=1S/C7H7NO3/c1-2-11-5-8-6(9)3-4-7(8)10/h2-4H,1,5H2
InChIKeyKAAUJDBDGXUZES-UHFFFAOYSA-N
XLogP0.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.14
LogP ≤ 50.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 1-(ethenoxymethyl)pyrrole-2,5-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 1-(ethenoxymethyl)pyrrole-2,5-dione?
The IUPAC name of 1-(ethenoxymethyl)pyrrole-2,5-dione (CID 139844925) is 1-(ethenoxymethyl)pyrrole-2,5-dione.
What is the SMILES notation for 1-(ethenoxymethyl)pyrrole-2,5-dione?
The canonical SMILES for 1-(ethenoxymethyl)pyrrole-2,5-dione is C=COCN1C(=O)C=CC1=O.
What is the InChIKey of 1-(ethenoxymethyl)pyrrole-2,5-dione?
The InChIKey is KAAUJDBDGXUZES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO3/c1-2-11-5-8-6(9)3-4-7(8)10/h2-4H,1,5H2.
What are the key properties of 1-(ethenoxymethyl)pyrrole-2,5-dione?
1-(ethenoxymethyl)pyrrole-2,5-dione has a molecular weight of 153.14 g/mol, XLogP of 0.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(ethenoxymethyl)pyrrole-2,5-dione is sourced from PubChem (CID 139844925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).