1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone

C17H22N2O — CID 117098609

IUPAC1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCN2CCCC2)c2ccc(C)cc12
InChIInChI=1S/C17H22N2O/c1-13-5-6-17-15(11-13)16(14(2)20)12-19(17)10-9-18-7-3-4-8-18/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyUZUYWEUMBLKFFA-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.25
Rot. Bonds4

About 1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone

1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone (PubChem CID 117098609) has the molecular formula C17H22N2O and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone
PubChem CID117098609
Molecular FormulaC17H22N2O
Molecular Weight270.38 g/mol
Exact Mass270.17
IUPAC Name1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone
SMILESCC(=O)c1cn(CCN2CCCC2)c2ccc(C)cc12
InChIInChI=1S/C17H22N2O/c1-13-5-6-17-15(11-13)16(14(2)20)12-19(17)10-9-18-7-3-4-8-18/h5-6,11-12H,3-4,7-10H2,1-2H3
InChIKeyUZUYWEUMBLKFFA-UHFFFAOYSA-N
XLogP3.25
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-fluoro-1-(2-piperidin-1-ylethyl)indol-3-yl]ethanone
CID 117098731
2-(3-acetyl-5-methylindol-1-yl)-N-methylacetamide
CID 117098611
2-[5-methyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]ethanol
CID 112719753
5-methyl-1-(4-piperidin-1-ylbutyl)-3-(piperidin-1-ylmethyl)indole
CID 155559147
1-ethyl-5-methylindole-3-carboxylic acid
CID 52911028
1-(2-hydroxyethyl)-5-methylindole-3-carboxamide
CID 173096651
1-(1-cyclopropyl-5-methylindol-3-yl)ethanone
CID 115028386
1-[5-bromo-1-(2-hydroxyethyl)indol-3-yl]ethanone
CID 83948117
1-[4-methyl-2-(3-pyrrolidin-1-ylpropoxy)phenyl]ethanone
CID 55244767
1-(3-acetyl-6-methylindol-1-yl)propan-2-one
CID 126628917
5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid
CID 83968374
[1-[2-(azepan-1-yl)ethyl]indol-3-yl]-(2,2,3,3-tetramethylcyclopropyl)methanone
CID 11537904

Frequently Asked Questions

What is the IUPAC name of 1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone?
The IUPAC name of 1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone (CID 117098609) is 1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone.
What is the SMILES notation for 1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone?
The canonical SMILES for 1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone is CC(=O)c1cn(CCN2CCCC2)c2ccc(C)cc12.
What is the InChIKey of 1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone?
The InChIKey is UZUYWEUMBLKFFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O/c1-13-5-6-17-15(11-13)16(14(2)20)12-19(17)10-9-18-7-3-4-8-18/h5-6,11-12H,3-4,7-10H2,1-2H3.
What are the key properties of 1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone?
1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone has a molecular weight of 270.38 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone is sourced from PubChem (CID 117098609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).