methyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate

C11H9NO5 — CID 748410

IUPACmethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate
SMILESCOC(=O)CON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H9NO5/c1-16-9(13)6-17-12-10(14)7-4-2-3-5-8(7)11(12)15/h2-5H,6H2,1H3
InChIKeyMSKBUVDLWGTLAC-UHFFFAOYSA-N
MW235.19 g/mol
LogP0.39
Rot. Bonds3

About methyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate

methyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate (PubChem CID 748410) has the molecular formula C11H9NO5 and a molecular weight of 235.19 g/mol. Its IUPAC name is methyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate.

Molecular Properties

Compound Namemethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate
PubChem CID748410
Molecular FormulaC11H9NO5
Molecular Weight235.19 g/mol
Exact Mass235.05
IUPAC Namemethyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate
SMILESCOC(=O)CON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C11H9NO5/c1-16-9(13)6-17-12-10(14)7-4-2-3-5-8(7)11(12)15/h2-5H,6H2,1H3
InChIKeyMSKBUVDLWGTLAC-UHFFFAOYSA-N
XLogP0.39
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.19
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate?
The IUPAC name of methyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate (CID 748410) is methyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate.
What is the SMILES notation for methyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate?
The canonical SMILES for methyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate is COC(=O)CON1C(=O)c2ccccc2C1=O.
What is the InChIKey of methyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate?
The InChIKey is MSKBUVDLWGTLAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO5/c1-16-9(13)6-17-12-10(14)7-4-2-3-5-8(7)11(12)15/h2-5H,6H2,1H3.
What are the key properties of methyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate?
methyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate has a molecular weight of 235.19 g/mol, XLogP of 0.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1,3-dioxoisoindol-2-yl)oxyacetate is sourced from PubChem (CID 748410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).