3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione

C10H8N2O2 — CID 76657528

IUPAC3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione
SMILESO=C1CC(=Cc2ccccn2)C(=O)N1
InChIInChI=1S/C10H8N2O2/c13-9-6-7(10(14)12-9)5-8-3-1-2-4-11-8/h1-5H,6H2,(H,12,13,14)
InChIKeyRPIFWLJVXRZHRD-UHFFFAOYSA-N
MW188.19 g/mol
LogP0.51
Rot. Bonds1

About 3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione

3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione (PubChem CID 76657528) has the molecular formula C10H8N2O2 and a molecular weight of 188.19 g/mol. Its IUPAC name is 3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione
PubChem CID76657528
Molecular FormulaC10H8N2O2
Molecular Weight188.19 g/mol
Exact Mass188.06
IUPAC Name3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione
SMILESO=C1CC(=Cc2ccccn2)C(=O)N1
InChIInChI=1S/C10H8N2O2/c13-9-6-7(10(14)12-9)5-8-3-1-2-4-11-8/h1-5H,6H2,(H,12,13,14)
InChIKeyRPIFWLJVXRZHRD-UHFFFAOYSA-N
XLogP0.51
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 3-(pyridin-2-ylmethylidene)pyrrolidine-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-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione?
The IUPAC name of 3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione (CID 76657528) is 3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione.
What is the SMILES notation for 3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione?
The canonical SMILES for 3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione is O=C1CC(=Cc2ccccn2)C(=O)N1.
What is the InChIKey of 3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione?
The InChIKey is RPIFWLJVXRZHRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2/c13-9-6-7(10(14)12-9)5-8-3-1-2-4-11-8/h1-5H,6H2,(H,12,13,14).
What are the key properties of 3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione?
3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione has a molecular weight of 188.19 g/mol, XLogP of 0.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione is sourced from PubChem (CID 76657528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).