[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1H-indole-3-carboxylate

C21H19NO3 — CID 7518736

IUPAC[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1H-indole-3-carboxylate
SMILESO=C(COC(=O)c1c[nH]c2ccccc12)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H19NO3/c23-20(16-10-9-14-5-1-2-6-15(14)11-16)13-25-21(24)18-12-22-19-8-4-3-7-17(18)19/h3-4,7-12,22H,1-2,5-6,13H2
InChIKeyDNTJPBSCHSCDFF-UHFFFAOYSA-N
MW333.39 g/mol
LogP4.09
Rot. Bonds4

About [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1H-indole-3-carboxylate

[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1H-indole-3-carboxylate (PubChem CID 7518736) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1H-indole-3-carboxylate.

Molecular Properties

Compound Name[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1H-indole-3-carboxylate
PubChem CID7518736
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1H-indole-3-carboxylate
SMILESO=C(COC(=O)c1c[nH]c2ccccc12)c1ccc2c(c1)CCCC2
InChIInChI=1S/C21H19NO3/c23-20(16-10-9-14-5-1-2-6-15(14)11-16)13-25-21(24)18-12-22-19-8-4-3-7-17(18)19/h3-4,7-12,22H,1-2,5-6,13H2
InChIKeyDNTJPBSCHSCDFF-UHFFFAOYSA-N
XLogP4.09
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2-naphthalen-2-yl-2-oxoethyl) 1H-indole-3-carboxylate
CID 27535021
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 3-(1H-indol-3-yl)propanoate
CID 7169259
[2-(3-methoxyphenyl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 27535148
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 3-hydroxynaphthalene-2-carboxylate
CID 7891418
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-methoxybenzoate
CID 7485451
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 7866840
[2-(1H-indol-3-yl)-2-oxoethyl] 3,5-difluorobenzoate
CID 4030553
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 2,4-difluorobenzoate
CID 7951467
[2-(4-fluorophenyl)-2-oxoethyl] 5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 7706150
[2-(2-methyl-1H-indol-3-yl)-2-oxoethyl] 2,3-dihydro-1H-indene-5-carboxylate
CID 9010293
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888835
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 5-bromo-2-hydroxybenzoate
CID 7786303

Frequently Asked Questions

What is the IUPAC name of [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1H-indole-3-carboxylate?
The IUPAC name of [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1H-indole-3-carboxylate (CID 7518736) is [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1H-indole-3-carboxylate.
What is the SMILES notation for [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1H-indole-3-carboxylate?
The canonical SMILES for [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1H-indole-3-carboxylate is O=C(COC(=O)c1c[nH]c2ccccc12)c1ccc2c(c1)CCCC2.
What is the InChIKey of [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1H-indole-3-carboxylate?
The InChIKey is DNTJPBSCHSCDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-20(16-10-9-14-5-1-2-6-15(14)11-16)13-25-21(24)18-12-22-19-8-4-3-7-17(18)19/h3-4,7-12,22H,1-2,5-6,13H2.
What are the key properties of [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1H-indole-3-carboxylate?
[2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1H-indole-3-carboxylate has a molecular weight of 333.39 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-oxo-2-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl] 1H-indole-3-carboxylate is sourced from PubChem (CID 7518736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).