[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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Fluoro-benzoic acid 2-(2,3-dihydro-indol-1-yl)-2-oxo-ethyl ester
CID 1089228
[2-(N-methylanilino)-2-oxoethyl] 3,4-dimethylbenzoate
CID 2335983
[2-(N-methylanilino)-2-oxoethyl] 4-cyanobenzoate
CID 2336020
2-[Methyl(phenyl)amino]-2-oxoethyl 2-methylbenzoate
CID 2336314
[2-(N-methylanilino)-2-oxoethyl] 2,4-dimethylbenzoate
CID 2336315
(2-Oxo-2-pyrrolidin-1-ylethyl) 4-(dimethylamino)benzoate
CID 2370481
[2-(N-methylanilino)-2-oxoethyl] 3-fluorobenzoate
CID 2380174
[2-(Methylamino)-2-oxoethyl] 2-anilinobenzoate
CID 2420011
4-oxo-5-phenyl-1,2-dihydro-4H-pyrrolo[3,2,1-ij]quinolin-6-yl benzoate
CID 2816400
7,10-dioxo-4,5-dihydro-7H,10H-pyrano[3,2-c]pyrrolo[3,2,1-ij]quinolin-8-yl benzoate
CID 2816529
(2-Oxo-2-pyrrolidin-1-ylethyl) 4-(diethylamino)benzoate
CID 4512972
[2-(2-Methylpiperidin-1-yl)-2-oxoethyl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 4541416

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).