7-ethyl-2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxylic acid

C18H24N2O2 — CID 83947287

IUPAC7-ethyl-2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2c(CCN3CCCC3)c(C)[nH]c12
InChIInChI=1S/C18H24N2O2/c1-3-13-10-14(18(21)22)11-16-15(12(2)19-17(13)16)6-9-20-7-4-5-8-20/h10-11,19H,3-9H2,1-2H3,(H,21,22)
InChIKeyJDTNNDRSRXMOIU-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.38
Rot. Bonds5

About 7-ethyl-2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxylic acid

7-ethyl-2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxylic acid (PubChem CID 83947287) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 7-ethyl-2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxylic acid
PubChem CID83947287
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name7-ethyl-2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2c(CCN3CCCC3)c(C)[nH]c12
InChIInChI=1S/C18H24N2O2/c1-3-13-10-14(18(21)22)11-16-15(12(2)19-17(13)16)6-9-20-7-4-5-8-20/h10-11,19H,3-9H2,1-2H3,(H,21,22)
InChIKeyJDTNNDRSRXMOIU-UHFFFAOYSA-N
XLogP3.38
TPSA56.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxylic acid?
The IUPAC name of 7-ethyl-2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxylic acid (CID 83947287) is 7-ethyl-2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxylic acid.
What is the SMILES notation for 7-ethyl-2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxylic acid?
The canonical SMILES for 7-ethyl-2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxylic acid is CCc1cc(C(=O)O)cc2c(CCN3CCCC3)c(C)[nH]c12.
What is the InChIKey of 7-ethyl-2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxylic acid?
The InChIKey is JDTNNDRSRXMOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-13-10-14(18(21)22)11-16-15(12(2)19-17(13)16)6-9-20-7-4-5-8-20/h10-11,19H,3-9H2,1-2H3,(H,21,22).
What are the key properties of 7-ethyl-2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxylic acid?
7-ethyl-2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxylic acid has a molecular weight of 300.40 g/mol, XLogP of 3.38, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-methyl-3-(2-pyrrolidin-1-ylethyl)-1H-indole-5-carboxylic acid is sourced from PubChem (CID 83947287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).