2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide

C15H11IN2O6 — CID 164925007

IUPAC2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide
SMILESO=C(I)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H11IN2O6/c16-10(19)6-24-9-3-1-2-7-12(9)15(23)18(14(7)22)8-4-5-11(20)17-13(8)21/h1-3,8H,4-6H2,(H,17,20,21)
InChIKeyRDRXYTPGXDOJRA-UHFFFAOYSA-N
MW442.17 g/mol
LogP0.43
Rot. Bonds4

About 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide (PubChem CID 164925007) has the molecular formula C15H11IN2O6 and a molecular weight of 442.17 g/mol. Its IUPAC name is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide.

Molecular Properties

Compound Name2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide
PubChem CID164925007
Molecular FormulaC15H11IN2O6
Molecular Weight442.17 g/mol
Exact Mass441.97
IUPAC Name2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide
SMILESO=C(I)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C15H11IN2O6/c16-10(19)6-24-9-3-1-2-7-12(9)15(23)18(14(7)22)8-4-5-11(20)17-13(8)21/h1-3,8H,4-6H2,(H,17,20,21)
InChIKeyRDRXYTPGXDOJRA-UHFFFAOYSA-N
XLogP0.43
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.17
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-ethenylacetamide
CID 166735269
2-[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyethoxy]acetic acid
CID 150803876
N-tert-butyl-2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetamide
CID 134384711
2-(2,6-dioxopiperidin-3-yl)-4-(2-oxo-2-piperazin-1-ylethoxy)isoindole-1,3-dione
CID 155292507
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-[(3R)-pyrrolidin-3-yl]acetamide;hydrochloride
CID 165436330
2-(2,6-dioxopiperidin-3-yl)-4-ethoxyisoindole-1,3-dione;ethane
CID 166167636
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-piperidin-3-ylacetamide
CID 165436323
2-(2,6-dioxopiperidin-3-yl)-4-(11,11,11-trifluoro-2-oxoundecoxy)isoindole-1,3-dione
CID 158386851
tert-butyl N-[[2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl]amino]carbamate
CID 138611967
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxy-N-(3-oxopropyl)acetamide
CID 155195023
5-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxypentanoic acid;methane
CID 159948017
2-(2,6-dioxopiperidin-3-yl)-4-[4-(4-ethylphenyl)-2-oxobutoxy]isoindole-1,3-dione
CID 159541249

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide?
The IUPAC name of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide (CID 164925007) is 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide.
What is the SMILES notation for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide?
The canonical SMILES for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide is O=C(I)COc1cccc2c1C(=O)N(C1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide?
The InChIKey is RDRXYTPGXDOJRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11IN2O6/c16-10(19)6-24-9-3-1-2-7-12(9)15(23)18(14(7)22)8-4-5-11(20)17-13(8)21/h1-3,8H,4-6H2,(H,17,20,21).
What are the key properties of 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide?
2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide has a molecular weight of 442.17 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]oxyacetyl iodide is sourced from PubChem (CID 164925007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).