3-(7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C13H12N2O4 — CID 25015582

IUPAC3-(7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(O)cccc3C2=O)C(=O)N1
InChIInChI=1S/C13H12N2O4/c16-10-3-1-2-7-8(10)6-15(13(7)19)9-4-5-11(17)14-12(9)18/h1-3,9,16H,4-6H2,(H,14,17,18)
InChIKeyHGPRKOYQOBYISD-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.15
Rot. Bonds1

About 3-(7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

3-(7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 25015582) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-(7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID25015582
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name3-(7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3c(O)cccc3C2=O)C(=O)N1
InChIInChI=1S/C13H12N2O4/c16-10-3-1-2-7-8(10)6-15(13(7)19)9-4-5-11(17)14-12(9)18/h1-3,9,16H,4-6H2,(H,14,17,18)
InChIKeyHGPRKOYQOBYISD-UHFFFAOYSA-N
XLogP0.15
TPSA86.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 25015582) is 3-(7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is O=C1CCC(N2Cc3c(O)cccc3C2=O)C(=O)N1.
What is the InChIKey of 3-(7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is HGPRKOYQOBYISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-10-3-1-2-7-8(10)6-15(13(7)19)9-4-5-11(17)14-12(9)18/h1-3,9,16H,4-6H2,(H,14,17,18).
What are the key properties of 3-(7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 260.25 g/mol, XLogP of 0.15, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 25015582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).