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

C13H12N2O4 — CID 71517902

IUPAC3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(O)ccc3C2=O)C(=O)N1
InChIInChI=1S/C13H12N2O4/c16-8-1-2-9-7(5-8)6-15(13(9)19)10-3-4-11(17)14-12(10)18/h1-2,5,10,16H,3-4,6H2,(H,14,17,18)
InChIKeyJJUMFQGCQAUIFH-UHFFFAOYSA-N
MW260.25 g/mol
LogP0.15
Rot. Bonds1

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

3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 71517902) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID71517902
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2Cc3cc(O)ccc3C2=O)C(=O)N1
InChIInChI=1S/C13H12N2O4/c16-8-1-2-9-7(5-8)6-15(13(9)19)10-3-4-11(17)14-12(10)18/h1-2,5,10,16H,3-4,6H2,(H,14,17,18)
InChIKeyJJUMFQGCQAUIFH-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': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

3-(6-hydroxy-1-oxo-3,4-dihydroisoquinolin-2-yl)piperidine-2,6-dione
CID 146173302
N-ethylcyclopentanamine;3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione;thiohypoiodous acid
CID 153392033
3-[6-(4-chlorobenzoyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177251278
3-(3-oxo-6-pyrrolidin-1-yl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 166947626
3-(6-(114C)methylidyneazaniumyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156628917
3-(6-isocyano-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 140797643
3-[6-[(6-hydroxynaphthalen-2-yl)methylamino]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166819473
3-[6-(4-hydroxypiperidin-1-yl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 162742094
3-[6-[methyl(methylidene)-λ4-sulfanyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177161115
3-[6-(2-methylpropanoyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177251287
2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione
CID 170628916
3-[6-[amino(dideuterio)methyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 156629005

Frequently Asked Questions

What is the IUPAC name of 3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 71517902) is 3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is O=C1CCC(N2Cc3cc(O)ccc3C2=O)C(=O)N1.
What is the InChIKey of 3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is JJUMFQGCQAUIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-8-1-2-9-7(5-8)6-15(13(9)19)10-3-4-11(17)14-12(10)18/h1-2,5,10,16H,3-4,6H2,(H,14,17,18).
What are the key properties of 3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(6-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-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 71517902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).