3-ethyl-1-(3-methoxypropyl)-4-pyrrolidin-1-ylindole

C18H26N2O — CID 59494181

IUPAC3-ethyl-1-(3-methoxypropyl)-4-pyrrolidin-1-ylindole
SMILESCCc1cn(CCCOC)c2cccc(N3CCCC3)c12
InChIInChI=1S/C18H26N2O/c1-3-15-14-20(12-7-13-21-2)17-9-6-8-16(18(15)17)19-10-4-5-11-19/h6,8-9,14H,3-5,7,10-13H2,1-2H3
InChIKeyYJTPKWZDIUMBMA-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.84
Rot. Bonds6

About 3-ethyl-1-(3-methoxypropyl)-4-pyrrolidin-1-ylindole

3-ethyl-1-(3-methoxypropyl)-4-pyrrolidin-1-ylindole (PubChem CID 59494181) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-ethyl-1-(3-methoxypropyl)-4-pyrrolidin-1-ylindole.

Molecular Properties

Compound Name3-ethyl-1-(3-methoxypropyl)-4-pyrrolidin-1-ylindole
PubChem CID59494181
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-ethyl-1-(3-methoxypropyl)-4-pyrrolidin-1-ylindole
SMILESCCc1cn(CCCOC)c2cccc(N3CCCC3)c12
InChIInChI=1S/C18H26N2O/c1-3-15-14-20(12-7-13-21-2)17-9-6-8-16(18(15)17)19-10-4-5-11-19/h6,8-9,14H,3-5,7,10-13H2,1-2H3
InChIKeyYJTPKWZDIUMBMA-UHFFFAOYSA-N
XLogP3.84
TPSA17.40 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(3-methoxypropyl)-4-pyrrolidin-1-ylindole?
The IUPAC name of 3-ethyl-1-(3-methoxypropyl)-4-pyrrolidin-1-ylindole (CID 59494181) is 3-ethyl-1-(3-methoxypropyl)-4-pyrrolidin-1-ylindole.
What is the SMILES notation for 3-ethyl-1-(3-methoxypropyl)-4-pyrrolidin-1-ylindole?
The canonical SMILES for 3-ethyl-1-(3-methoxypropyl)-4-pyrrolidin-1-ylindole is CCc1cn(CCCOC)c2cccc(N3CCCC3)c12.
What is the InChIKey of 3-ethyl-1-(3-methoxypropyl)-4-pyrrolidin-1-ylindole?
The InChIKey is YJTPKWZDIUMBMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-3-15-14-20(12-7-13-21-2)17-9-6-8-16(18(15)17)19-10-4-5-11-19/h6,8-9,14H,3-5,7,10-13H2,1-2H3.
What are the key properties of 3-ethyl-1-(3-methoxypropyl)-4-pyrrolidin-1-ylindole?
3-ethyl-1-(3-methoxypropyl)-4-pyrrolidin-1-ylindole has a molecular weight of 286.42 g/mol, XLogP of 3.84, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(3-methoxypropyl)-4-pyrrolidin-1-ylindole is sourced from PubChem (CID 59494181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).