2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C13H10N2O4 — CID 5426

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IUPAC2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1
InChIInChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)
InChIKeyUEJJHQNACJXSKW-UHFFFAOYSA-N
MW258.23 g/mol
LogP0.09
Rot. Bonds1

About 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 5426) has the molecular formula C13H10N2O4 and a molecular weight of 258.23 g/mol. Its IUPAC name is 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
PubChem CID5426
Molecular FormulaC13H10N2O4
Molecular Weight258.23 g/mol
Exact Mass258.06
IUPAC Name2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
SMILESO=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1
InChIInChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17)
InChIKeyUEJJHQNACJXSKW-UHFFFAOYSA-N
XLogP0.09
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Pomalidomide
CID 134780
Lenalidomide
CID 216326
(S)-Thalidomide
CID 92142
3-(1,3-Dihydro-1-oxo-2H-isoindol-2-yl)-2,6-piperidinedione
CID 91585
Isopropylphthalimide
CID 67535
N-Butylphthalimide
CID 73812
Nvp-dky709
CID 137519326
N-Ethylphthalimide
CID 21120
1H-Isoindole-1,3(2H)-dione, 2-(((5-ethyl-1,2-dihydro-6-methyl-2-oxo-3-pyridinyl)amino)methyl)-
CID 453179
(R)-Thalidomide
CID 75792
alpha-Phthalimidopropiophenone
CID 519663
N-Cyclohexylphthalimide
CID 225739

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 5426) is 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is O=C1CCC(N2C(=O)c3ccccc3C2=O)C(=O)N1.
What is the InChIKey of 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
The InChIKey is UEJJHQNACJXSKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O4/c16-10-6-5-9(11(17)14-10)15-12(18)7-3-1-2-4-8(7)13(15)19/h1-4,9H,5-6H2,(H,14,16,17).
What are the key properties of 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 258.23 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 5426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).