2-[(5-oxopyrrolidin-2-yl)methyl]isoindole-1,3-dione

C13H12N2O3 — CID 22958643

IUPAC2-[(5-oxopyrrolidin-2-yl)methyl]isoindole-1,3-dione
SMILESO=C1CCC(CN2C(=O)c3ccccc3C2=O)N1
InChIInChI=1S/C13H12N2O3/c16-11-6-5-8(14-11)7-15-12(17)9-3-1-2-4-10(9)13(15)18/h1-4,8H,5-7H2,(H,14,16)
InChIKeyAJMRHWWBKNRJDG-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.56
Rot. Bonds2

About 2-[(5-oxopyrrolidin-2-yl)methyl]isoindole-1,3-dione

2-[(5-oxopyrrolidin-2-yl)methyl]isoindole-1,3-dione (PubChem CID 22958643) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[(5-oxopyrrolidin-2-yl)methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(5-oxopyrrolidin-2-yl)methyl]isoindole-1,3-dione
PubChem CID22958643
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-[(5-oxopyrrolidin-2-yl)methyl]isoindole-1,3-dione
SMILESO=C1CCC(CN2C(=O)c3ccccc3C2=O)N1
InChIInChI=1S/C13H12N2O3/c16-11-6-5-8(14-11)7-15-12(17)9-3-1-2-4-10(9)13(15)18/h1-4,8H,5-7H2,(H,14,16)
InChIKeyAJMRHWWBKNRJDG-UHFFFAOYSA-N
XLogP0.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(5-oxopyrrolidin-2-yl)methyl]isoindole-1,3-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 2-[(5-oxopyrrolidin-2-yl)methyl]isoindole-1,3-dione?
The IUPAC name of 2-[(5-oxopyrrolidin-2-yl)methyl]isoindole-1,3-dione (CID 22958643) is 2-[(5-oxopyrrolidin-2-yl)methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(5-oxopyrrolidin-2-yl)methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[(5-oxopyrrolidin-2-yl)methyl]isoindole-1,3-dione is O=C1CCC(CN2C(=O)c3ccccc3C2=O)N1.
What is the InChIKey of 2-[(5-oxopyrrolidin-2-yl)methyl]isoindole-1,3-dione?
The InChIKey is AJMRHWWBKNRJDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-11-6-5-8(14-11)7-15-12(17)9-3-1-2-4-10(9)13(15)18/h1-4,8H,5-7H2,(H,14,16).
What are the key properties of 2-[(5-oxopyrrolidin-2-yl)methyl]isoindole-1,3-dione?
2-[(5-oxopyrrolidin-2-yl)methyl]isoindole-1,3-dione has a molecular weight of 244.25 g/mol, XLogP of 0.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-oxopyrrolidin-2-yl)methyl]isoindole-1,3-dione is sourced from PubChem (CID 22958643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).