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

C26H27N3O — CID 10222461

IUPAC3-[8-[3-(1H-indol-4-yloxy)propyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole
SMILESC1=C(c2c[nH]c3ccccc23)CC2CCC1N2CCCOc1cccc2[nH]ccc12
InChIInChI=1S/C26H27N3O/c1-2-6-24-21(5-1)23(17-28-24)18-15-19-9-10-20(16-18)29(19)13-4-14-30-26-8-3-7-25-22(26)11-12-27-25/h1-3,5-8,11-12,15,17,19-20,27-28H,4,9-10,13-14,16H2
InChIKeyRDPZHUVLZFXTFY-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.74
Rot. Bonds6

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

3-[8-[3-(1H-indol-4-yloxy)propyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole (PubChem CID 10222461) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-[8-[3-(1H-indol-4-yloxy)propyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole.

Molecular Properties

Compound Name3-[8-[3-(1H-indol-4-yloxy)propyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole
PubChem CID10222461
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name3-[8-[3-(1H-indol-4-yloxy)propyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole
SMILESC1=C(c2c[nH]c3ccccc23)CC2CCC1N2CCCOc1cccc2[nH]ccc12
InChIInChI=1S/C26H27N3O/c1-2-6-24-21(5-1)23(17-28-24)18-15-19-9-10-20(16-18)29(19)13-4-14-30-26-8-3-7-25-22(26)11-12-27-25/h1-3,5-8,11-12,15,17,19-20,27-28H,4,9-10,13-14,16H2
InChIKeyRDPZHUVLZFXTFY-UHFFFAOYSA-N
XLogP5.74
TPSA44.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[8-[3-(1H-indol-4-yloxy)propyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole?
The IUPAC name of 3-[8-[3-(1H-indol-4-yloxy)propyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole (CID 10222461) is 3-[8-[3-(1H-indol-4-yloxy)propyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole.
What is the SMILES notation for 3-[8-[3-(1H-indol-4-yloxy)propyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole?
The canonical SMILES for 3-[8-[3-(1H-indol-4-yloxy)propyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole is C1=C(c2c[nH]c3ccccc23)CC2CCC1N2CCCOc1cccc2[nH]ccc12.
What is the InChIKey of 3-[8-[3-(1H-indol-4-yloxy)propyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole?
The InChIKey is RDPZHUVLZFXTFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-2-6-24-21(5-1)23(17-28-24)18-15-19-9-10-20(16-18)29(19)13-4-14-30-26-8-3-7-25-22(26)11-12-27-25/h1-3,5-8,11-12,15,17,19-20,27-28H,4,9-10,13-14,16H2.
What are the key properties of 3-[8-[3-(1H-indol-4-yloxy)propyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole?
3-[8-[3-(1H-indol-4-yloxy)propyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole has a molecular weight of 397.52 g/mol, XLogP of 5.74, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[8-[3-(1H-indol-4-yloxy)propyl]-8-azabicyclo[3.2.1]oct-2-en-3-yl]-1H-indole is sourced from PubChem (CID 10222461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).