1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid

C18H24N2O2 — CID 83948084

IUPAC1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
SMILESCCCn1cc(CCN2CCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C18H24N2O2/c1-2-8-20-13-15(7-11-19-9-3-4-10-19)16-6-5-14(18(21)22)12-17(16)20/h5-6,12-13H,2-4,7-11H2,1H3,(H,21,22)
InChIKeyKTKADEWCVLHZPG-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.39
Rot. Bonds6

About 1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid

1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid (PubChem CID 83948084) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid.

Molecular Properties

Compound Name1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
PubChem CID83948084
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
SMILESCCCn1cc(CCN2CCCC2)c2ccc(C(=O)O)cc21
InChIInChI=1S/C18H24N2O2/c1-2-8-20-13-15(7-11-19-9-3-4-10-19)16-6-5-14(18(21)22)12-17(16)20/h5-6,12-13H,2-4,7-11H2,1H3,(H,21,22)
InChIKeyKTKADEWCVLHZPG-UHFFFAOYSA-N
XLogP3.39
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-butyl-1-propylindole-6-carboxylic acid
CID 83946604
1-butyl-3-(2-piperazin-1-ylethyl)indole-6-carboxylic acid
CID 83948094
1-(2-aminoethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946975
1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947008
1-butyl-5-methyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid
CID 83947013
1-(2-hydroxyethyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946955
1-(2-aminoethyl)-7-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947926
1-(3-hydroxypropyl)-6-methyl-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83946979
7-ethyl-1-(2-hydroxyethyl)-3-(2-pyrrolidin-1-ylethyl)indole-5-carboxylic acid
CID 83947876
2-[5-tert-butyl-3-(2-pyrrolidin-1-ylethyl)indol-1-yl]acetic acid
CID 83947640
3-methyl-1-propylindole-5-carboxylic acid
CID 83945011
1-(2-aminoethyl)-3-methylindole-6-carboxylic acid
CID 83946650

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid?
The IUPAC name of 1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid (CID 83948084) is 1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid.
What is the SMILES notation for 1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid?
The canonical SMILES for 1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid is CCCn1cc(CCN2CCCC2)c2ccc(C(=O)O)cc21.
What is the InChIKey of 1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid?
The InChIKey is KTKADEWCVLHZPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-2-8-20-13-15(7-11-19-9-3-4-10-19)16-6-5-14(18(21)22)12-17(16)20/h5-6,12-13H,2-4,7-11H2,1H3,(H,21,22).
What are the key properties of 1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid?
1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 3.39, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(2-pyrrolidin-1-ylethyl)indole-6-carboxylic acid is sourced from PubChem (CID 83948084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).