ethyl 2-[5-methyl-3-(pyrrolidin-2-ylmethyl)indol-1-yl]acetate

C18H24N2O2 — CID 58450019

IUPACethyl 2-[5-methyl-3-(pyrrolidin-2-ylmethyl)indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(CC2CCCN2)c2cc(C)ccc21
InChIInChI=1S/C18H24N2O2/c1-3-22-18(21)12-20-11-14(10-15-5-4-8-19-15)16-9-13(2)6-7-17(16)20/h6-7,9,11,15,19H,3-5,8,10,12H2,1-2H3
InChIKeyTVJLCSLELDELRH-UHFFFAOYSA-N
MW300.40 g/mol
LogP2.81
Rot. Bonds5

About ethyl 2-[5-methyl-3-(pyrrolidin-2-ylmethyl)indol-1-yl]acetate

ethyl 2-[5-methyl-3-(pyrrolidin-2-ylmethyl)indol-1-yl]acetate (PubChem CID 58450019) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is ethyl 2-[5-methyl-3-(pyrrolidin-2-ylmethyl)indol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-methyl-3-(pyrrolidin-2-ylmethyl)indol-1-yl]acetate
PubChem CID58450019
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Nameethyl 2-[5-methyl-3-(pyrrolidin-2-ylmethyl)indol-1-yl]acetate
SMILESCCOC(=O)Cn1cc(CC2CCCN2)c2cc(C)ccc21
InChIInChI=1S/C18H24N2O2/c1-3-22-18(21)12-20-11-14(10-15-5-4-8-19-15)16-9-13(2)6-7-17(16)20/h6-7,9,11,15,19H,3-5,8,10,12H2,1-2H3
InChIKeyTVJLCSLELDELRH-UHFFFAOYSA-N
XLogP2.81
TPSA43.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Etryptamine Acetate
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5-Isopropyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole
CID 10912152
5-Ethyl-3-(2-pyrrolidin-1-yl-ethyl)-1H-indole
CID 15870567
5-Ethyl-3-[[(2R)-1-methyl-2-pyrrolidinyl]methyl]-1H-indole
CID 10131024
5-tert-Butyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indole
CID 44292365
5-Isopropyl-3-((R)-1-methyl-pyrrolidin-2-ylmethyl)-1H-indole
CID 44292375
4-((3-(2-(Dimethylamino)ethyl)-1H-indol-5-yl)methyl)-1,3-oxazolidin-2-one
CID 5731
methyl 2-[3-((1E)-2-nitrovinyl)indolyl]acetate
CID 879823
propan-2-yl (3-cyano-1H-indol-1-yl)acetate
CID 951682
ethyl (3-cyano-7-ethyl-1H-indol-1-yl)acetate
CID 976597

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-methyl-3-(pyrrolidin-2-ylmethyl)indol-1-yl]acetate?
The IUPAC name of ethyl 2-[5-methyl-3-(pyrrolidin-2-ylmethyl)indol-1-yl]acetate (CID 58450019) is ethyl 2-[5-methyl-3-(pyrrolidin-2-ylmethyl)indol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[5-methyl-3-(pyrrolidin-2-ylmethyl)indol-1-yl]acetate?
The canonical SMILES for ethyl 2-[5-methyl-3-(pyrrolidin-2-ylmethyl)indol-1-yl]acetate is CCOC(=O)Cn1cc(CC2CCCN2)c2cc(C)ccc21.
What is the InChIKey of ethyl 2-[5-methyl-3-(pyrrolidin-2-ylmethyl)indol-1-yl]acetate?
The InChIKey is TVJLCSLELDELRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-3-22-18(21)12-20-11-14(10-15-5-4-8-19-15)16-9-13(2)6-7-17(16)20/h6-7,9,11,15,19H,3-5,8,10,12H2,1-2H3.
What are the key properties of ethyl 2-[5-methyl-3-(pyrrolidin-2-ylmethyl)indol-1-yl]acetate?
ethyl 2-[5-methyl-3-(pyrrolidin-2-ylmethyl)indol-1-yl]acetate has a molecular weight of 300.40 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[5-methyl-3-(pyrrolidin-2-ylmethyl)indol-1-yl]acetate is sourced from PubChem (CID 58450019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).