HomeMCPWorkbenchSkills
HomeWorkbenchNotificationsMe
Huagongshe Open Program:[email protected]AI access: llms.txt · MCP GuidePrivacy Policy · Terms of Service · Supportv1.7.8
  1. Home
  2. /Compound

5-[2-(1-methyl-pyrrolidin-2-yl)-ethoxy]-1H-indole-2-carboxylic acid ethyl ester

HCID 69283274
NotesReactions
Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
Substructure searchFind similar structures

Basic information

Standard SMILES
CCOC(=O)c1cc2cc(OCCC3CCCN3C)ccc2[nH]1
InChIKey
HARAQXAITLBVSV-UHFFFAOYSA-N
Molecular formula
C18H24N2O3
Average molar mass
316.4 g/mol

Names & identifiers

Preferred name
5-[2-(1-methyl-pyrrolidin-2-yl)-ethoxy]-1H-indole-2-carboxylic acid ethyl ester
IUPAC
ethyl 5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indole-2-carboxylate

Names & synonyms

SCHEMBL5024346HARAQXAITLBVSV-UHFFFAOYSA-N5-[2-(1-methyl-pyrrolidin-2-yl)-ethoxy]-1H-indole-2-carboxylic acid ethyl ester

Database identifiers

PubChem CID
69283274

Properties

Computed structural properties

XLogP
3.5
Topological polar surface area
54.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
23
Formal charge
0
Complexity
404

Related reactions

2 records
New reaction record
HRID 175383 reaction equation
HRID 175383As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)
HRID 901091 reaction equation
HRID 901091As reactantuspto-grants-2008_04

Compound notes

Loading…

On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes