3-[8-[2-(1H-indol-4-yloxy)ethyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole

C25H25N3O — CID 10178015

IUPAC3-[8-[2-(1H-indol-4-yloxy)ethyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole
SMILESC1=C(c2c[nH]c3ccccc23)CC2CCC1N2CCOc1cccc2[nH]ccc12
InChIInChI=1S/C25H25N3O/c1-2-5-23-20(4-1)22(16-27-23)17-14-18-8-9-19(15-17)28(18)12-13-29-25-7-3-6-24-21(25)10-11-26-24/h1-7,10-11,14,16,18-19,26-27H,8-9,12-13,15H2
InChIKeyFYKWKUAISYHKLU-UHFFFAOYSA-N
MW383.50 g/mol
LogP5.35
Rot. Bonds5

About 3-[8-[2-(1H-indol-4-yloxy)ethyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole

3-[8-[2-(1H-indol-4-yloxy)ethyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole (PubChem CID 10178015) has the molecular formula C25H25N3O and a molecular weight of 383.50 g/mol. Its IUPAC name is 3-[8-[2-(1H-indol-4-yloxy)ethyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole.

Molecular Properties

Compound Name3-[8-[2-(1H-indol-4-yloxy)ethyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole
PubChem CID10178015
Molecular FormulaC25H25N3O
Molecular Weight383.50 g/mol
Exact Mass383.20
IUPAC Name3-[8-[2-(1H-indol-4-yloxy)ethyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole
SMILESC1=C(c2c[nH]c3ccccc23)CC2CCC1N2CCOc1cccc2[nH]ccc12
InChIInChI=1S/C25H25N3O/c1-2-5-23-20(4-1)22(16-27-23)17-14-18-8-9-19(15-17)28(18)12-13-29-25-7-3-6-24-21(25)10-11-26-24/h1-7,10-11,14,16,18-19,26-27H,8-9,12-13,15H2
InChIKeyFYKWKUAISYHKLU-UHFFFAOYSA-N
XLogP5.35
TPSA44.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.50
LogP ≤ 55.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[8-[2-(1H-indol-4-yloxy)ethyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole?
The IUPAC name of 3-[8-[2-(1H-indol-4-yloxy)ethyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole (CID 10178015) is 3-[8-[2-(1H-indol-4-yloxy)ethyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole.
What is the SMILES notation for 3-[8-[2-(1H-indol-4-yloxy)ethyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole?
The canonical SMILES for 3-[8-[2-(1H-indol-4-yloxy)ethyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole is C1=C(c2c[nH]c3ccccc23)CC2CCC1N2CCOc1cccc2[nH]ccc12.
What is the InChIKey of 3-[8-[2-(1H-indol-4-yloxy)ethyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole?
The InChIKey is FYKWKUAISYHKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O/c1-2-5-23-20(4-1)22(16-27-23)17-14-18-8-9-19(15-17)28(18)12-13-29-25-7-3-6-24-21(25)10-11-26-24/h1-7,10-11,14,16,18-19,26-27H,8-9,12-13,15H2.
What are the key properties of 3-[8-[2-(1H-indol-4-yloxy)ethyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole?
3-[8-[2-(1H-indol-4-yloxy)ethyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole has a molecular weight of 383.50 g/mol, XLogP of 5.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[2-(1H-indol-4-yloxy)ethyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole is sourced from PubChem (CID 10178015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).