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

C19H23FN2 — CID 71271710

IUPAC3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole
SMILESCCC1CC2C=CC1N(CCc1c[nH]c3c(F)cccc13)C2
InChIInChI=1S/C19H23FN2/c1-2-14-10-13-6-7-18(14)22(12-13)9-8-15-11-21-19-16(15)4-3-5-17(19)20/h3-7,11,13-14,18,21H,2,8-10,12H2,1H3
InChIKeyBMFJMYYZPROBOY-UHFFFAOYSA-N
MW298.40 g/mol
LogP4.14
Rot. Bonds4

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

3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole (PubChem CID 71271710) has the molecular formula C19H23FN2 and a molecular weight of 298.40 g/mol. Its IUPAC name is 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole.

Molecular Properties

Compound Name3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole
PubChem CID71271710
Molecular FormulaC19H23FN2
Molecular Weight298.40 g/mol
Exact Mass298.18
IUPAC Name3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole
SMILESCCC1CC2C=CC1N(CCc1c[nH]c3c(F)cccc13)C2
InChIInChI=1S/C19H23FN2/c1-2-14-10-13-6-7-18(14)22(12-13)9-8-15-11-21-19-16(15)4-3-5-17(19)20/h3-7,11,13-14,18,21H,2,8-10,12H2,1H3
InChIKeyBMFJMYYZPROBOY-UHFFFAOYSA-N
XLogP4.14
TPSA19.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.40
LogP ≤ 54.14
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 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole?
The IUPAC name of 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole (CID 71271710) is 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole.
What is the SMILES notation for 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole?
The canonical SMILES for 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole is CCC1CC2C=CC1N(CCc1c[nH]c3c(F)cccc13)C2.
What is the InChIKey of 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole?
The InChIKey is BMFJMYYZPROBOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2/c1-2-14-10-13-6-7-18(14)22(12-13)9-8-15-11-21-19-16(15)4-3-5-17(19)20/h3-7,11,13-14,18,21H,2,8-10,12H2,1H3.
What are the key properties of 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole?
3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole has a molecular weight of 298.40 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-ethyl-2-azabicyclo[2.2.2]oct-5-en-2-yl)ethyl]-7-fluoro-1H-indole is sourced from PubChem (CID 71271710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).