ethenyl 2-(3-oxoisoindol-1-yl)oxybenzoate

C17H11NO4 — CID 67823291

IUPACethenyl 2-(3-oxoisoindol-1-yl)oxybenzoate
SMILESC=COC(=O)c1ccccc1OC1=NC(=O)c2ccccc21
InChIInChI=1S/C17H11NO4/c1-2-21-17(20)13-9-5-6-10-14(13)22-16-12-8-4-3-7-11(12)15(19)18-16/h2-10H,1H2
InChIKeyZNWJOFLJZHMXAD-UHFFFAOYSA-N
MW293.28 g/mol
LogP2.97
Rot. Bonds3

About ethenyl 2-(3-oxoisoindol-1-yl)oxybenzoate

ethenyl 2-(3-oxoisoindol-1-yl)oxybenzoate (PubChem CID 67823291) has the molecular formula C17H11NO4 and a molecular weight of 293.28 g/mol. Its IUPAC name is ethenyl 2-(3-oxoisoindol-1-yl)oxybenzoate.

Molecular Properties

Compound Nameethenyl 2-(3-oxoisoindol-1-yl)oxybenzoate
PubChem CID67823291
Molecular FormulaC17H11NO4
Molecular Weight293.28 g/mol
Exact Mass293.07
IUPAC Nameethenyl 2-(3-oxoisoindol-1-yl)oxybenzoate
SMILESC=COC(=O)c1ccccc1OC1=NC(=O)c2ccccc21
InChIInChI=1S/C17H11NO4/c1-2-21-17(20)13-9-5-6-10-14(13)22-16-12-8-4-3-7-11(12)15(19)18-16/h2-10H,1H2
InChIKeyZNWJOFLJZHMXAD-UHFFFAOYSA-N
XLogP2.97
TPSA64.96 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 ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethenyl 2-(3-oxoisoindol-1-yl)oxybenzoate?
The IUPAC name of ethenyl 2-(3-oxoisoindol-1-yl)oxybenzoate (CID 67823291) is ethenyl 2-(3-oxoisoindol-1-yl)oxybenzoate.
What is the SMILES notation for ethenyl 2-(3-oxoisoindol-1-yl)oxybenzoate?
The canonical SMILES for ethenyl 2-(3-oxoisoindol-1-yl)oxybenzoate is C=COC(=O)c1ccccc1OC1=NC(=O)c2ccccc21.
What is the InChIKey of ethenyl 2-(3-oxoisoindol-1-yl)oxybenzoate?
The InChIKey is ZNWJOFLJZHMXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO4/c1-2-21-17(20)13-9-5-6-10-14(13)22-16-12-8-4-3-7-11(12)15(19)18-16/h2-10H,1H2.
What are the key properties of ethenyl 2-(3-oxoisoindol-1-yl)oxybenzoate?
ethenyl 2-(3-oxoisoindol-1-yl)oxybenzoate has a molecular weight of 293.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethenyl 2-(3-oxoisoindol-1-yl)oxybenzoate is sourced from PubChem (CID 67823291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).