4-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]-1H-indole

C27H26N2O — CID 10222267

IUPAC4-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]-1H-indole
SMILESC1=C(c2ccc3ccccc3c2)CC2CCC1N2CCOc1cccc2[nH]ccc12
InChIInChI=1S/C27H26N2O/c1-2-5-20-16-21(9-8-19(20)4-1)22-17-23-10-11-24(18-22)29(23)14-15-30-27-7-3-6-26-25(27)12-13-28-26/h1-9,12-13,16-17,23-24,28H,10-11,14-15,18H2
InChIKeyPCDLJMILCANOLD-UHFFFAOYSA-N
MW394.52 g/mol
LogP6.02
Rot. Bonds5

About 4-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]-1H-indole

4-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]-1H-indole (PubChem CID 10222267) has the molecular formula C27H26N2O and a molecular weight of 394.52 g/mol. Its IUPAC name is 4-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]-1H-indole.

Molecular Properties

Compound Name4-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]-1H-indole
PubChem CID10222267
Molecular FormulaC27H26N2O
Molecular Weight394.52 g/mol
Exact Mass394.20
IUPAC Name4-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]-1H-indole
SMILESC1=C(c2ccc3ccccc3c2)CC2CCC1N2CCOc1cccc2[nH]ccc12
InChIInChI=1S/C27H26N2O/c1-2-5-20-16-21(9-8-19(20)4-1)22-17-23-10-11-24(18-22)29(23)14-15-30-27-7-3-6-26-25(27)12-13-28-26/h1-9,12-13,16-17,23-24,28H,10-11,14-15,18H2
InChIKeyPCDLJMILCANOLD-UHFFFAOYSA-N
XLogP6.02
TPSA28.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]-1H-indole?
The IUPAC name of 4-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]-1H-indole (CID 10222267) is 4-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]-1H-indole.
What is the SMILES notation for 4-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]-1H-indole?
The canonical SMILES for 4-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]-1H-indole is C1=C(c2ccc3ccccc3c2)CC2CCC1N2CCOc1cccc2[nH]ccc12.
What is the InChIKey of 4-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]-1H-indole?
The InChIKey is PCDLJMILCANOLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O/c1-2-5-20-16-21(9-8-19(20)4-1)22-17-23-10-11-24(18-22)29(23)14-15-30-27-7-3-6-26-25(27)12-13-28-26/h1-9,12-13,16-17,23-24,28H,10-11,14-15,18H2.
What are the key properties of 4-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]-1H-indole?
4-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]-1H-indole has a molecular weight of 394.52 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3-naphthalen-2-yl-8-azabicyclo[3.2.1]oct-2-en-8-yl)ethoxy]-1H-indole is sourced from PubChem (CID 10222267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).