ethyl 6-[3-(1-methylpyrrolidin-2-yl)propyl]-1H-indole-2-carboxylate

C19H26N2O2 — CID 71101782

IUPACethyl 6-[3-(1-methylpyrrolidin-2-yl)propyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(CCCC3CCCN3C)cc2[nH]1
InChIInChI=1S/C19H26N2O2/c1-3-23-19(22)18-13-15-10-9-14(12-17(15)20-18)6-4-7-16-8-5-11-21(16)2/h9-10,12-13,16,20H,3-8,11H2,1-2H3
InChIKeyHTPRLJNZGGSYIP-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.76
Rot. Bonds6

About ethyl 6-[3-(1-methylpyrrolidin-2-yl)propyl]-1H-indole-2-carboxylate

ethyl 6-[3-(1-methylpyrrolidin-2-yl)propyl]-1H-indole-2-carboxylate (PubChem CID 71101782) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is ethyl 6-[3-(1-methylpyrrolidin-2-yl)propyl]-1H-indole-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-[3-(1-methylpyrrolidin-2-yl)propyl]-1H-indole-2-carboxylate
PubChem CID71101782
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Nameethyl 6-[3-(1-methylpyrrolidin-2-yl)propyl]-1H-indole-2-carboxylate
SMILESCCOC(=O)c1cc2ccc(CCCC3CCCN3C)cc2[nH]1
InChIInChI=1S/C19H26N2O2/c1-3-23-19(22)18-13-15-10-9-14(12-17(15)20-18)6-4-7-16-8-5-11-21(16)2/h9-10,12-13,16,20H,3-8,11H2,1-2H3
InChIKeyHTPRLJNZGGSYIP-UHFFFAOYSA-N
XLogP3.76
TPSA45.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 6-[3-(1-methylpyrrolidin-2-yl)propyl]-1H-indole-2-carboxylate with MolForge

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Related Compounds

ethyl 5-(2-hydroxyethyl)-1H-indole-2-carboxylate
CID 68691266
diethyl 1,7-dihydropyrrolo[3,2-f]indole-2,6-dicarboxylate
CID 12575837
N-[(1-methylpyrrolidin-2-yl)methyl]-N-(2-phenylethyl)-1H-indole-2-carboxamide
CID 129043902
ethane;ethyl 1H-indole-2-carboxylate
CID 91376411
1-methyl-2-(3-phenylpropyl)pyrrolidine
CID 15758084
5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-N-propyl-1H-indole-2-carboxamide
CID 69282619
ethyl 5-(2-cyanoethyl)-1H-indole-2-carboxylate
CID 70096807
[5-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-indol-2-yl]-pyrrolidin-1-ylmethanone
CID 69283271
ethyl 5-[3-(dimethylamino)piperidine-1-carbonyl]-1H-indole-2-carboxylate
CID 68680571
ethyl 2-amino-3-[2-(1-methylpyrrolidin-2-yl)ethoxy]benzoate
CID 115547213
(3-ethoxypiperidin-1-yl)-(6-methyl-1H-indol-2-yl)methanone
CID 56819947
(6-methyl-1H-indol-2-yl)-[(2R)-2-[(2R)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95290652

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[3-(1-methylpyrrolidin-2-yl)propyl]-1H-indole-2-carboxylate?
The IUPAC name of ethyl 6-[3-(1-methylpyrrolidin-2-yl)propyl]-1H-indole-2-carboxylate (CID 71101782) is ethyl 6-[3-(1-methylpyrrolidin-2-yl)propyl]-1H-indole-2-carboxylate.
What is the SMILES notation for ethyl 6-[3-(1-methylpyrrolidin-2-yl)propyl]-1H-indole-2-carboxylate?
The canonical SMILES for ethyl 6-[3-(1-methylpyrrolidin-2-yl)propyl]-1H-indole-2-carboxylate is CCOC(=O)c1cc2ccc(CCCC3CCCN3C)cc2[nH]1.
What is the InChIKey of ethyl 6-[3-(1-methylpyrrolidin-2-yl)propyl]-1H-indole-2-carboxylate?
The InChIKey is HTPRLJNZGGSYIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-3-23-19(22)18-13-15-10-9-14(12-17(15)20-18)6-4-7-16-8-5-11-21(16)2/h9-10,12-13,16,20H,3-8,11H2,1-2H3.
What are the key properties of ethyl 6-[3-(1-methylpyrrolidin-2-yl)propyl]-1H-indole-2-carboxylate?
ethyl 6-[3-(1-methylpyrrolidin-2-yl)propyl]-1H-indole-2-carboxylate has a molecular weight of 314.43 g/mol, XLogP of 3.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[3-(1-methylpyrrolidin-2-yl)propyl]-1H-indole-2-carboxylate is sourced from PubChem (CID 71101782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).