3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione

C11H11NO3 — CID 144985941

IUPAC3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione
SMILESC=CC1=C(C=C)C(=O)N(CC(C)=O)C1=O
InChIInChI=1S/C11H11NO3/c1-4-8-9(5-2)11(15)12(10(8)14)6-7(3)13/h4-5H,1-2,6H2,3H3
InChIKeyVNMRGQSYWJDQNX-UHFFFAOYSA-N
MW205.21 g/mol
LogP0.61
Rot. Bonds4

About 3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione

3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione (PubChem CID 144985941) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione.

Molecular Properties

Compound Name3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione
PubChem CID144985941
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione
SMILESC=CC1=C(C=C)C(=O)N(CC(C)=O)C1=O
InChIInChI=1S/C11H11NO3/c1-4-8-9(5-2)11(15)12(10(8)14)6-7(3)13/h4-5H,1-2,6H2,3H3
InChIKeyVNMRGQSYWJDQNX-UHFFFAOYSA-N
XLogP0.61
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,4-bis(ethenyl)-1-(2-oxopropyl)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 3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione?
The IUPAC name of 3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione (CID 144985941) is 3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione.
What is the SMILES notation for 3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione?
The canonical SMILES for 3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione is C=CC1=C(C=C)C(=O)N(CC(C)=O)C1=O.
What is the InChIKey of 3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione?
The InChIKey is VNMRGQSYWJDQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-4-8-9(5-2)11(15)12(10(8)14)6-7(3)13/h4-5H,1-2,6H2,3H3.
What are the key properties of 3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione?
3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione has a molecular weight of 205.21 g/mol, XLogP of 0.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-bis(ethenyl)-1-(2-oxopropyl)pyrrole-2,5-dione is sourced from PubChem (CID 144985941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).