3-isoindol-2-ylpiperidine-2,6-dione

C13H12N2O2 — CID 69413542

IUPAC3-isoindol-2-ylpiperidine-2,6-dione
SMILESO=C1CCC(n2cc3ccccc3c2)C(=O)N1
InChIInChI=1S/C13H12N2O2/c16-12-6-5-11(13(17)14-12)15-7-9-3-1-2-4-10(9)8-15/h1-4,7-8,11H,5-6H2,(H,14,16,17)
InChIKeyDCXSLPIDFATNLS-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.62
Rot. Bonds1

About 3-isoindol-2-ylpiperidine-2,6-dione

3-isoindol-2-ylpiperidine-2,6-dione (PubChem CID 69413542) has the molecular formula C13H12N2O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 3-isoindol-2-ylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-isoindol-2-ylpiperidine-2,6-dione
PubChem CID69413542
Molecular FormulaC13H12N2O2
Molecular Weight228.25 g/mol
Exact Mass228.09
IUPAC Name3-isoindol-2-ylpiperidine-2,6-dione
SMILESO=C1CCC(n2cc3ccccc3c2)C(=O)N1
InChIInChI=1S/C13H12N2O2/c16-12-6-5-11(13(17)14-12)15-7-9-3-1-2-4-10(9)8-15/h1-4,7-8,11H,5-6H2,(H,14,16,17)
InChIKeyDCXSLPIDFATNLS-UHFFFAOYSA-N
XLogP1.62
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
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-isoindol-2-ylpiperidine-2,6-dione?
The IUPAC name of 3-isoindol-2-ylpiperidine-2,6-dione (CID 69413542) is 3-isoindol-2-ylpiperidine-2,6-dione.
What is the SMILES notation for 3-isoindol-2-ylpiperidine-2,6-dione?
The canonical SMILES for 3-isoindol-2-ylpiperidine-2,6-dione is O=C1CCC(n2cc3ccccc3c2)C(=O)N1.
What is the InChIKey of 3-isoindol-2-ylpiperidine-2,6-dione?
The InChIKey is DCXSLPIDFATNLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O2/c16-12-6-5-11(13(17)14-12)15-7-9-3-1-2-4-10(9)8-15/h1-4,7-8,11H,5-6H2,(H,14,16,17).
What are the key properties of 3-isoindol-2-ylpiperidine-2,6-dione?
3-isoindol-2-ylpiperidine-2,6-dione has a molecular weight of 228.25 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-isoindol-2-ylpiperidine-2,6-dione is sourced from PubChem (CID 69413542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).