[2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate

C14H11NO6 — CID 170058298

IUPAC[2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H11NO6/c1-8(2)14(19)20-7-11(16)21-15-12(17)9-5-3-4-6-10(9)13(15)18/h3-6H,1,7H2,2H3
InChIKeyCQBISVJCWZXNAA-UHFFFAOYSA-N
MW289.24 g/mol
LogP0.86
Rot. Bonds4

About [2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate

[2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate (PubChem CID 170058298) has the molecular formula C14H11NO6 and a molecular weight of 289.24 g/mol. Its IUPAC name is [2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
PubChem CID170058298
Molecular FormulaC14H11NO6
Molecular Weight289.24 g/mol
Exact Mass289.06
IUPAC Name[2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OCC(=O)ON1C(=O)c2ccccc2C1=O
InChIInChI=1S/C14H11NO6/c1-8(2)14(19)20-7-11(16)21-15-12(17)9-5-3-4-6-10(9)13(15)18/h3-6H,1,7H2,2H3
InChIKeyCQBISVJCWZXNAA-UHFFFAOYSA-N
XLogP0.86
TPSA89.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.24
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(1,3-dioxoisoindol-2-yl) 3-(2-methylprop-2-enoylamino)propanoate
CID 101388898
bis(1,3-dioxoisoindol-2-yl) oxalate
CID 13423760
(1,3-dioxoisoindol-2-yl) 2-(2,6-dimethylphenoxy)acetate
CID 132786913
2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethanediazonium
CID 170920036
bis(1,3-dioxoisoindol-2-yl) carbonate
CID 12876455
(1,3-dioxoisoindol-2-yl) 3-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoate
CID 176989880
(1,3-dioxoisoindol-2-yl) 2-naphthalen-2-yloxyacetate
CID 5062983
(1,3-dioxoisoindol-2-yl) 2-octan-2-yloxyacetate
CID 129308444
2-(2-aminoprop-2-enoxy)isoindole-1,3-dione;methanamine;propane
CID 143480902
(2-anthracen-9-yloxy-2-oxoethyl) 2-methylprop-2-enoate
CID 177106308
2-(1-phenylethenoxy)isoindole-1,3-dione
CID 13332656
2-(2-methylprop-2-enoyloxy)ethyl 2-methylprop-2-enoate;toluene
CID 163489883

Frequently Asked Questions

What is the IUPAC name of [2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate?
The IUPAC name of [2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate (CID 170058298) is [2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate.
What is the SMILES notation for [2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate?
The canonical SMILES for [2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(=O)ON1C(=O)c2ccccc2C1=O.
What is the InChIKey of [2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate?
The InChIKey is CQBISVJCWZXNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11NO6/c1-8(2)14(19)20-7-11(16)21-15-12(17)9-5-3-4-6-10(9)13(15)18/h3-6H,1,7H2,2H3.
What are the key properties of [2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate?
[2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate has a molecular weight of 289.24 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1,3-dioxoisoindol-2-yl)oxy-2-oxoethyl] 2-methylprop-2-enoate is sourced from PubChem (CID 170058298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).