7-fluoro-3-[2-(7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole

C18H21FN2 — CID 123136701

IUPAC7-fluoro-3-[2-(7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
SMILESCC1CC2C=CC1N(CCc1c[nH]c3c(F)cccc13)C2
InChIInChI=1S/C18H21FN2/c1-12-9-13-5-6-17(12)21(11-13)8-7-14-10-20-18-15(14)3-2-4-16(18)19/h2-6,10,12-13,17,20H,7-9,11H2,1H3
InChIKeyHMUBKKXWLZUEJX-UHFFFAOYSA-N
MW284.38 g/mol
LogP3.75
Rot. Bonds3

About 7-fluoro-3-[2-(7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole

7-fluoro-3-[2-(7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole (PubChem CID 123136701) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is 7-fluoro-3-[2-(7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole.

Molecular Properties

Compound Name7-fluoro-3-[2-(7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
PubChem CID123136701
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC Name7-fluoro-3-[2-(7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole
SMILESCC1CC2C=CC1N(CCc1c[nH]c3c(F)cccc13)C2
InChIInChI=1S/C18H21FN2/c1-12-9-13-5-6-17(12)21(11-13)8-7-14-10-20-18-15(14)3-2-4-16(18)19/h2-6,10,12-13,17,20H,7-9,11H2,1H3
InChIKeyHMUBKKXWLZUEJX-UHFFFAOYSA-N
XLogP3.75
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-fluoro-3-[2-(7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?
The IUPAC name of 7-fluoro-3-[2-(7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole (CID 123136701) is 7-fluoro-3-[2-(7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole.
What is the SMILES notation for 7-fluoro-3-[2-(7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?
The canonical SMILES for 7-fluoro-3-[2-(7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole is CC1CC2C=CC1N(CCc1c[nH]c3c(F)cccc13)C2.
What is the InChIKey of 7-fluoro-3-[2-(7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?
The InChIKey is HMUBKKXWLZUEJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c1-12-9-13-5-6-17(12)21(11-13)8-7-14-10-20-18-15(14)3-2-4-16(18)19/h2-6,10,12-13,17,20H,7-9,11H2,1H3.
What are the key properties of 7-fluoro-3-[2-(7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole?
7-fluoro-3-[2-(7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole has a molecular weight of 284.38 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-3-[2-(7-methyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-1H-indole is sourced from PubChem (CID 123136701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).