5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid

C16H20N2O2 — CID 83968374

IUPAC5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid
SMILESCc1ccc2c(c1)cc(C(=O)O)n2CCN1CCCC1
InChIInChI=1S/C16H20N2O2/c1-12-4-5-14-13(10-12)11-15(16(19)20)18(14)9-8-17-6-2-3-7-17/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,20)
InChIKeyWJVJLTDNCHOHIB-UHFFFAOYSA-N
MW272.35 g/mol
LogP2.74
Rot. Bonds4

About 5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid

5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid (PubChem CID 83968374) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid.

Molecular Properties

Compound Name5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid
PubChem CID83968374
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid
SMILESCc1ccc2c(c1)cc(C(=O)O)n2CCN1CCCC1
InChIInChI=1S/C16H20N2O2/c1-12-4-5-14-13(10-12)11-15(16(19)20)18(14)9-8-17-6-2-3-7-17/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,20)
InChIKeyWJVJLTDNCHOHIB-UHFFFAOYSA-N
XLogP2.74
TPSA45.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1,5-dimethylindol-2-yl)-pyrrolidin-1-ylmethanone
CID 7329070
5-methyl-1-[(6-methyl-2-pyridinyl)methyl]indole-2-carboxylic acid
CID 175952664
2-(chloromethyl)-5-methyl-1-(2-pyrrolidin-1-ylethyl)benzimidazole
CID 62640925
2-(azepan-1-ylmethyl)-1,5-dimethylindole
CID 117185359
1-[5-methyl-1-(2-pyrrolidin-1-ylethyl)indol-3-yl]ethanone
CID 117098609
1,5-dimethyl-N-pyrrolidin-1-ylsulfonylindole-2-carboxamide
CID 118100925
5-(2-methoxyethoxy)-1-(2-methoxyethyl)indole-2-carboxylic acid
CID 168741031
3,5-dimethyl-1-(2-piperidin-1-ylethyl)pyrrole-2-carboxylic acid
CID 84616645
(1,5-dimethylindol-2-yl)-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)methanone
CID 46977726
6-methyl-1-oxo-2-(2-oxopropyl)isoquinoline-3-carboxylic acid
CID 82366705
1,5-diethylindole-2-carboxylic acid;ethane
CID 142207795
1-(2,5-dimethylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050255

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid?
The IUPAC name of 5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid (CID 83968374) is 5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid.
What is the SMILES notation for 5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid?
The canonical SMILES for 5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid is Cc1ccc2c(c1)cc(C(=O)O)n2CCN1CCCC1.
What is the InChIKey of 5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid?
The InChIKey is WJVJLTDNCHOHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-12-4-5-14-13(10-12)11-15(16(19)20)18(14)9-8-17-6-2-3-7-17/h4-5,10-11H,2-3,6-9H2,1H3,(H,19,20).
What are the key properties of 5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid?
5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid has a molecular weight of 272.35 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(2-pyrrolidin-1-ylethyl)indole-2-carboxylic acid is sourced from PubChem (CID 83968374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).