(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)indole-3-carboxylate

C19H23FN2O2 — CID 118436681

IUPAC(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)indole-3-carboxylate
SMILESCN1C2CCC1CC(OC(=O)c1cn(CCF)c3ccccc13)C2
InChIInChI=1S/C19H23FN2O2/c1-21-13-6-7-14(21)11-15(10-13)24-19(23)17-12-22(9-8-20)18-5-3-2-4-16(17)18/h2-5,12-15H,6-11H2,1H3
InChIKeyZFNXREFERDBQEK-UHFFFAOYSA-N
MW330.40 g/mol
LogP3.39
Rot. Bonds4

About (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)indole-3-carboxylate

(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)indole-3-carboxylate (PubChem CID 118436681) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)indole-3-carboxylate.

Molecular Properties

Compound Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)indole-3-carboxylate
PubChem CID118436681
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)indole-3-carboxylate
SMILESCN1C2CCC1CC(OC(=O)c1cn(CCF)c3ccccc13)C2
InChIInChI=1S/C19H23FN2O2/c1-21-13-6-7-14(21)11-15(10-13)24-19(23)17-12-22(9-8-20)18-5-3-2-4-16(17)18/h2-5,12-15H,6-11H2,1H3
InChIKeyZFNXREFERDBQEK-UHFFFAOYSA-N
XLogP3.39
TPSA34.47 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)indole-3-carboxylate?
The IUPAC name of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)indole-3-carboxylate (CID 118436681) is (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)indole-3-carboxylate.
What is the SMILES notation for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)indole-3-carboxylate?
The canonical SMILES for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)indole-3-carboxylate is CN1C2CCC1CC(OC(=O)c1cn(CCF)c3ccccc13)C2.
What is the InChIKey of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)indole-3-carboxylate?
The InChIKey is ZFNXREFERDBQEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c1-21-13-6-7-14(21)11-15(10-13)24-19(23)17-12-22(9-8-20)18-5-3-2-4-16(17)18/h2-5,12-15H,6-11H2,1H3.
What are the key properties of (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)indole-3-carboxylate?
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)indole-3-carboxylate has a molecular weight of 330.40 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 1-(2-fluoroethyl)indole-3-carboxylate is sourced from PubChem (CID 118436681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).