3-(5-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C13H13N3O3 — CID 10149258

IUPAC3-(5-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C13H13N3O3/c14-8-2-1-7-6-16(13(19)9(7)5-8)10-3-4-11(17)15-12(10)18/h1-2,5,10H,3-4,6,14H2,(H,15,17,18)
InChIKeyLAGNQECGHYBSCQ-UHFFFAOYSA-N
MW259.26 g/mol
LogP0.03
Rot. Bonds1

About 3-(5-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

3-(5-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 10149258) has the molecular formula C13H13N3O3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 3-(5-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID10149258
Molecular FormulaC13H13N3O3
Molecular Weight259.26 g/mol
Exact Mass259.10
IUPAC Name3-(5-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESNc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C13H13N3O3/c14-8-2-1-7-6-16(13(19)9(7)5-8)10-3-4-11(17)15-12(10)18/h1-2,5,10H,3-4,6,14H2,(H,15,17,18)
InChIKeyLAGNQECGHYBSCQ-UHFFFAOYSA-N
XLogP0.03
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(5-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 10149258) is 3-(5-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is Nc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of 3-(5-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is LAGNQECGHYBSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3/c14-8-2-1-7-6-16(13(19)9(7)5-8)10-3-4-11(17)15-12(10)18/h1-2,5,10H,3-4,6,14H2,(H,15,17,18).
What are the key properties of 3-(5-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(5-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 259.26 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-amino-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 10149258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).