ethyl 5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate

C17H22N2O3 — CID 71694791

IUPACethyl 5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
SMILESCCOC(=O)c1c(CN2CCCC2)n(C)c2ccc(O)cc12
InChIInChI=1S/C17H22N2O3/c1-3-22-17(21)16-13-10-12(20)6-7-14(13)18(2)15(16)11-19-8-4-5-9-19/h6-7,10,20H,3-5,8-9,11H2,1-2H3
InChIKeyJASMNVXNNDQBMP-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.66
Rot. Bonds4

About ethyl 5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate

ethyl 5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate (PubChem CID 71694791) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is ethyl 5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
PubChem CID71694791
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Nameethyl 5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
SMILESCCOC(=O)c1c(CN2CCCC2)n(C)c2ccc(O)cc12
InChIInChI=1S/C17H22N2O3/c1-3-22-17(21)16-13-10-12(20)6-7-14(13)18(2)15(16)11-19-8-4-5-9-19/h6-7,10,20H,3-5,8-9,11H2,1-2H3
InChIKeyJASMNVXNNDQBMP-UHFFFAOYSA-N
XLogP2.66
TPSA54.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate?
The IUPAC name of ethyl 5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate (CID 71694791) is ethyl 5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate.
What is the SMILES notation for ethyl 5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate?
The canonical SMILES for ethyl 5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate is CCOC(=O)c1c(CN2CCCC2)n(C)c2ccc(O)cc12.
What is the InChIKey of ethyl 5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate?
The InChIKey is JASMNVXNNDQBMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-3-22-17(21)16-13-10-12(20)6-7-14(13)18(2)15(16)11-19-8-4-5-9-19/h6-7,10,20H,3-5,8-9,11H2,1-2H3.
What are the key properties of ethyl 5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate?
ethyl 5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate has a molecular weight of 302.37 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-hydroxy-1-methyl-2-(pyrrolidin-1-ylmethyl)indole-3-carboxylate is sourced from PubChem (CID 71694791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).