ethenyl 2-(1,3-dioxoisoindol-2-yl)benzoate

C17H11NO4 — CID 56998592

IUPACethenyl 2-(1,3-dioxoisoindol-2-yl)benzoate
SMILESC=COC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H11NO4/c1-2-22-17(21)13-9-5-6-10-14(13)18-15(19)11-7-3-4-8-12(11)16(18)20/h2-10H,1H2
InChIKeySTRZTQBVTAFXPD-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.79
Rot. Bonds3

About ethenyl 2-(1,3-dioxoisoindol-2-yl)benzoate

ethenyl 2-(1,3-dioxoisoindol-2-yl)benzoate (PubChem CID 56998592) has the molecular formula C17H11NO4 and a molecular weight of 293.28 g/mol. Its IUPAC name is ethenyl 2-(1,3-dioxoisoindol-2-yl)benzoate.

Molecular Properties

Compound Nameethenyl 2-(1,3-dioxoisoindol-2-yl)benzoate
PubChem CID56998592
Molecular FormulaC17H11NO4
Molecular Weight293.28 g/mol
Exact Mass293.07
IUPAC Nameethenyl 2-(1,3-dioxoisoindol-2-yl)benzoate
SMILESC=COC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C17H11NO4/c1-2-22-17(21)13-9-5-6-10-14(13)18-15(19)11-7-3-4-8-12(11)16(18)20/h2-10H,1H2
InChIKeySTRZTQBVTAFXPD-UHFFFAOYSA-N
XLogP2.79
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethenyl 2-(1,3-dioxoisoindol-2-yl)benzoate?
The IUPAC name of ethenyl 2-(1,3-dioxoisoindol-2-yl)benzoate (CID 56998592) is ethenyl 2-(1,3-dioxoisoindol-2-yl)benzoate.
What is the SMILES notation for ethenyl 2-(1,3-dioxoisoindol-2-yl)benzoate?
The canonical SMILES for ethenyl 2-(1,3-dioxoisoindol-2-yl)benzoate is C=COC(=O)c1ccccc1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of ethenyl 2-(1,3-dioxoisoindol-2-yl)benzoate?
The InChIKey is STRZTQBVTAFXPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO4/c1-2-22-17(21)13-9-5-6-10-14(13)18-15(19)11-7-3-4-8-12(11)16(18)20/h2-10H,1H2.
What are the key properties of ethenyl 2-(1,3-dioxoisoindol-2-yl)benzoate?
ethenyl 2-(1,3-dioxoisoindol-2-yl)benzoate has a molecular weight of 293.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-(1,3-dioxoisoindol-2-yl)benzoate is sourced from PubChem (CID 56998592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).