3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione

C16H14N2O2 — CID 3699567

IUPAC3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccccc2)C(=O)N1c1ccccn1
InChIInChI=1S/C16H14N2O2/c19-15-11-13(10-12-6-2-1-3-7-12)16(20)18(15)14-8-4-5-9-17-14/h1-9,13H,10-11H2
InChIKeyPUOQRPDRNRIXGO-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.20
Rot. Bonds3

About 3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione

3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione (PubChem CID 3699567) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione
PubChem CID3699567
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione
SMILESO=C1CC(Cc2ccccc2)C(=O)N1c1ccccn1
InChIInChI=1S/C16H14N2O2/c19-15-11-13(10-12-6-2-1-3-7-12)16(20)18(15)14-8-4-5-9-17-14/h1-9,13H,10-11H2
InChIKeyPUOQRPDRNRIXGO-UHFFFAOYSA-N
XLogP2.20
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione (CID 3699567) is 3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione is O=C1CC(Cc2ccccc2)C(=O)N1c1ccccn1.
What is the InChIKey of 3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione?
The InChIKey is PUOQRPDRNRIXGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c19-15-11-13(10-12-6-2-1-3-7-12)16(20)18(15)14-8-4-5-9-17-14/h1-9,13H,10-11H2.
What are the key properties of 3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione?
3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione has a molecular weight of 266.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-pyridin-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 3699567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).