[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] benzoate

C19H17NO3 — CID 2125022

IUPAC[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] benzoate
SMILESCCc1cccc2c(C(=O)COC(=O)c3ccccc3)c[nH]c12
InChIInChI=1S/C19H17NO3/c1-2-13-9-6-10-15-16(11-20-18(13)15)17(21)12-23-19(22)14-7-4-3-5-8-14/h3-11,20H,2,12H2,1H3
InChIKeyUGNRNQBDZWLGRU-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.77
Rot. Bonds5

About [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] benzoate

[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] benzoate (PubChem CID 2125022) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] benzoate.

Molecular Properties

Compound Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] benzoate
PubChem CID2125022
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] benzoate
SMILESCCc1cccc2c(C(=O)COC(=O)c3ccccc3)c[nH]c12
InChIInChI=1S/C19H17NO3/c1-2-13-9-6-10-15-16(11-20-18(13)15)17(21)12-23-19(22)14-7-4-3-5-8-14/h3-11,20H,2,12H2,1H3
InChIKeyUGNRNQBDZWLGRU-UHFFFAOYSA-N
XLogP3.77
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] benzoate?
The IUPAC name of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] benzoate (CID 2125022) is [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] benzoate.
What is the SMILES notation for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] benzoate?
The canonical SMILES for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] benzoate is CCc1cccc2c(C(=O)COC(=O)c3ccccc3)c[nH]c12.
What is the InChIKey of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] benzoate?
The InChIKey is UGNRNQBDZWLGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-2-13-9-6-10-15-16(11-20-18(13)15)17(21)12-23-19(22)14-7-4-3-5-8-14/h3-11,20H,2,12H2,1H3.
What are the key properties of [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] benzoate?
[2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] benzoate has a molecular weight of 307.35 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(7-ethyl-1H-indol-3-yl)-2-oxoethyl] benzoate is sourced from PubChem (CID 2125022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).