[5-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl] acetate

C15H12N2O6 — CID 10805336

IUPAC[5-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl] acetate
SMILESCC(=O)OC1CC(N2C(=O)c3ccccc3C2=O)C(=O)NC1=O
InChIInChI=1S/C15H12N2O6/c1-7(18)23-11-6-10(12(19)16-13(11)20)17-14(21)8-4-2-3-5-9(8)15(17)22/h2-5,10-11H,6H2,1H3,(H,16,19,20)
InChIKeyGLPALMXLLOSTFC-UHFFFAOYSA-N
MW316.27 g/mol
LogP-0.37
Rot. Bonds2

About [5-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl] acetate

[5-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl] acetate (PubChem CID 10805336) has the molecular formula C15H12N2O6 and a molecular weight of 316.27 g/mol. Its IUPAC name is [5-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl] acetate.

Molecular Properties

Compound Name[5-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl] acetate
PubChem CID10805336
Molecular FormulaC15H12N2O6
Molecular Weight316.27 g/mol
Exact Mass316.07
IUPAC Name[5-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl] acetate
SMILESCC(=O)OC1CC(N2C(=O)c3ccccc3C2=O)C(=O)NC1=O
InChIInChI=1S/C15H12N2O6/c1-7(18)23-11-6-10(12(19)16-13(11)20)17-14(21)8-4-2-3-5-9(8)15(17)22/h2-5,10-11H,6H2,1H3,(H,16,19,20)
InChIKeyGLPALMXLLOSTFC-UHFFFAOYSA-N
XLogP-0.37
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.27
LogP ≤ 5-0.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(1-methyl-2,4-dioxo-1,3-diazinan-5-yl)isoindole-1,3-dione
CID 135273269
2-(2,6-dioxo-5-phenylpiperidin-3-yl)isoindole-1,3-dione
CID 10640444
[(7R,9S)-16-oxo-1,2-diazatetracyclo[7.7.0.02,6.010,15]hexadeca-3,5,10,12,14-pentaen-7-yl] acetate
CID 15778524
[(1S,4S)-4-(1,3-dioxoisoindol-2-yl)cyclopent-2-en-1-yl] acetate
CID 126666595
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
bis((E)-but-2-enedioic acid);2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 175735508
2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione
CID 1494048
[1-(1,3-dioxoisoindol-2-yl)-2,3-dihydro-1H-inden-2-yl] acetate
CID 139247553
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;2,2,2-trifluoroacetic acid
CID 175762489

Frequently Asked Questions

What is the IUPAC name of [5-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl] acetate?
The IUPAC name of [5-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl] acetate (CID 10805336) is [5-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl] acetate.
What is the SMILES notation for [5-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl] acetate?
The canonical SMILES for [5-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl] acetate is CC(=O)OC1CC(N2C(=O)c3ccccc3C2=O)C(=O)NC1=O.
What is the InChIKey of [5-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl] acetate?
The InChIKey is GLPALMXLLOSTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O6/c1-7(18)23-11-6-10(12(19)16-13(11)20)17-14(21)8-4-2-3-5-9(8)15(17)22/h2-5,10-11H,6H2,1H3,(H,16,19,20).
What are the key properties of [5-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl] acetate?
[5-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl] acetate has a molecular weight of 316.27 g/mol, XLogP of -0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(1,3-dioxoisoindol-2-yl)-2,6-dioxopiperidin-3-yl] acetate is sourced from PubChem (CID 10805336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).