2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)oxy]isoindole-1,3-dione

C12H9NO5S — CID 10826510

IUPAC2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)oxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OC1C=CS(=O)(=O)C1
InChIInChI=1S/C12H9NO5S/c14-11-9-3-1-2-4-10(9)12(15)13(11)18-8-5-6-19(16,17)7-8/h1-6,8H,7H2
InChIKeyXREFFVUZINOMRA-UHFFFAOYSA-N
MW279.27 g/mol
LogP0.52
Rot. Bonds2

About 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)oxy]isoindole-1,3-dione

2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)oxy]isoindole-1,3-dione (PubChem CID 10826510) has the molecular formula C12H9NO5S and a molecular weight of 279.27 g/mol. Its IUPAC name is 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)oxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)oxy]isoindole-1,3-dione
PubChem CID10826510
Molecular FormulaC12H9NO5S
Molecular Weight279.27 g/mol
Exact Mass279.02
IUPAC Name2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)oxy]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1OC1C=CS(=O)(=O)C1
InChIInChI=1S/C12H9NO5S/c14-11-9-3-1-2-4-10(9)12(15)13(11)18-8-5-6-19(16,17)7-8/h1-6,8H,7H2
InChIKeyXREFFVUZINOMRA-UHFFFAOYSA-N
XLogP0.52
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.27
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3-dideuteriocyclohex-2-en-1-yl)oxyisoindole-1,3-dione
CID 11230315
2-aminooxyisoindole-1,3-dione
CID 89054763
bis(1,3-dioxoisoindol-2-yl) carbonate
CID 12876455
bis(1,3-dioxoisoindol-2-yl) oxalate
CID 13423760
2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoindole-1,3-dione
CID 134348113
2-prop-1-enoxyisoindole-1,3-dione
CID 158403520
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
(1,3-dioxoisoindol-2-yl) 2,6-dimethyloxane-4-carboxylate
CID 171104193
(1S,2S,6S,7S)-4-(1,3-dioxoisoindol-2-yl)-4-azatricyclo[5.2.1.02,6]dec-8-ene-3,5-dione
CID 18389799
(1,3-dioxoisoindol-2-yl) 3-fluorocyclobutane-1-carboxylate
CID 162341549
2-(4-phenylphenoxy)isoindole-1,3-dione
CID 154814720
5,11-dimethoxybenzo[c][1,5]benzodiazocine-6,12-dione
CID 102006402

Frequently Asked Questions

What is the IUPAC name of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)oxy]isoindole-1,3-dione?
The IUPAC name of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)oxy]isoindole-1,3-dione (CID 10826510) is 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)oxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)oxy]isoindole-1,3-dione?
The canonical SMILES for 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)oxy]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1OC1C=CS(=O)(=O)C1.
What is the InChIKey of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)oxy]isoindole-1,3-dione?
The InChIKey is XREFFVUZINOMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO5S/c14-11-9-3-1-2-4-10(9)12(15)13(11)18-8-5-6-19(16,17)7-8/h1-6,8H,7H2.
What are the key properties of 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)oxy]isoindole-1,3-dione?
2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)oxy]isoindole-1,3-dione has a molecular weight of 279.27 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1,1-dioxo-2,3-dihydrothiophen-3-yl)oxy]isoindole-1,3-dione is sourced from PubChem (CID 10826510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).