[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] benzoate

C17H15NO3 — CID 1088631

IUPAC[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] benzoate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C17H15NO3/c19-16(12-21-17(20)14-7-2-1-3-8-14)18-11-10-13-6-4-5-9-15(13)18/h1-9H,10-12H2
InChIKeyOABJPRBHEZREMF-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.43
Rot. Bonds3

About [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] benzoate

[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] benzoate (PubChem CID 1088631) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] benzoate
PubChem CID1088631
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] benzoate
SMILESO=C(OCC(=O)N1CCc2ccccc21)c1ccccc1
InChIInChI=1S/C17H15NO3/c19-16(12-21-17(20)14-7-2-1-3-8-14)18-11-10-13-6-4-5-9-15(13)18/h1-9H,10-12H2
InChIKeyOABJPRBHEZREMF-UHFFFAOYSA-N
XLogP2.43
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] benzoate?
The IUPAC name of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] benzoate (CID 1088631) is [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] benzoate is O=C(OCC(=O)N1CCc2ccccc21)c1ccccc1.
What is the InChIKey of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] benzoate?
The InChIKey is OABJPRBHEZREMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO3/c19-16(12-21-17(20)14-7-2-1-3-8-14)18-11-10-13-6-4-5-9-15(13)18/h1-9H,10-12H2.
What are the key properties of [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] benzoate?
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] benzoate has a molecular weight of 281.31 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2,3-dihydroindol-1-yl)-2-oxoethyl] benzoate is sourced from PubChem (CID 1088631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).