2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone

C17H23N3O — CID 170891339

IUPAC2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCC(N)Cc1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C17H23N3O/c1-13(18)10-14-11-20(16-7-3-2-6-15(14)16)12-17(21)19-8-4-5-9-19/h2-3,6-7,11,13H,4-5,8-10,12,18H2,1H3
InChIKeyXLGJPPXOUUBROP-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.15
Rot. Bonds4

About 2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone

2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 170891339) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID170891339
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCC(N)Cc1cn(CC(=O)N2CCCC2)c2ccccc12
InChIInChI=1S/C17H23N3O/c1-13(18)10-14-11-20(16-7-3-2-6-15(14)16)12-17(21)19-8-4-5-9-19/h2-3,6-7,11,13H,4-5,8-10,12,18H2,1H3
InChIKeyXLGJPPXOUUBROP-UHFFFAOYSA-N
XLogP2.15
TPSA51.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone (CID 170891339) is 2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone is CC(N)Cc1cn(CC(=O)N2CCCC2)c2ccccc12.
What is the InChIKey of 2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is XLGJPPXOUUBROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13(18)10-14-11-20(16-7-3-2-6-15(14)16)12-17(21)19-8-4-5-9-19/h2-3,6-7,11,13H,4-5,8-10,12,18H2,1H3.
What are the key properties of 2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone?
2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 285.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-aminopropyl)indol-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 170891339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).