2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone

C17H22N2O — CID 83137954

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone
SMILESCCC1CCC(C)N1CC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H22N2O/c1-3-13-9-8-12(2)19(13)11-17(20)15-10-18-16-7-5-4-6-14(15)16/h4-7,10,12-13,18H,3,8-9,11H2,1-2H3
InChIKeyLZOABEADDKLSGZ-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.61
Rot. Bonds4

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone

2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone (PubChem CID 83137954) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone
PubChem CID83137954
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone
SMILESCCC1CCC(C)N1CC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C17H22N2O/c1-3-13-9-8-12(2)19(13)11-17(20)15-10-18-16-7-5-4-6-14(15)16/h4-7,10,12-13,18H,3,8-9,11H2,1-2H3
InChIKeyLZOABEADDKLSGZ-UHFFFAOYSA-N
XLogP3.61
TPSA36.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-ethylazepan-1-yl)-1-(1H-indol-3-yl)ethanone
CID 115642542
1-(2-bromophenyl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83220282
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
CID 83220278
1-(1H-indol-3-yl)-2-(2-methylpiperidin-1-yl)ethanone
CID 3733485
1-(1H-indol-3-yl)-2-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 55432355
2-(3,4-dimethylpiperazin-1-yl)-1-(1H-indol-3-yl)ethanone
CID 63608717
1-(1H-indol-3-yl)-2-pyrrolidin-1-ylethanone
CID 913151
(2-ethyl-5-methylpyrrolidin-1-yl)-(1H-indol-4-yl)methanone
CID 83152477
5,5-diethyl-3-[2-(1H-indol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
CID 7181033
cyclopropyl(1H-indol-3-yl)methanone
CID 965839
2-[cyclobutyl(methyl)amino]-1-(1H-indol-3-yl)ethanone
CID 113246464
1-(2,5-dibromothiophen-3-yl)-2-(2-ethyl-5-methylpyrrolidin-1-yl)ethanone
CID 83220747

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone (CID 83137954) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone is CCC1CCC(C)N1CC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone?
The InChIKey is LZOABEADDKLSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-3-13-9-8-12(2)19(13)11-17(20)15-10-18-16-7-5-4-6-14(15)16/h4-7,10,12-13,18H,3,8-9,11H2,1-2H3.
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone?
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone has a molecular weight of 270.38 g/mol, XLogP of 3.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 83137954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).