2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone

C15H20FNO — CID 83220278

IUPAC2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
SMILESCCC1CCC(C)N1CC(=O)c1ccccc1F
InChIInChI=1S/C15H20FNO/c1-3-12-9-8-11(2)17(12)10-15(18)13-6-4-5-7-14(13)16/h4-7,11-12H,3,8-10H2,1-2H3
InChIKeyIZQUIARSHHFUFF-UHFFFAOYSA-N
MW249.33 g/mol
LogP3.27
Rot. Bonds4

About 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone

2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone (PubChem CID 83220278) has the molecular formula C15H20FNO and a molecular weight of 249.33 g/mol. Its IUPAC name is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
PubChem CID83220278
Molecular FormulaC15H20FNO
Molecular Weight249.33 g/mol
Exact Mass249.15
IUPAC Name2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone
SMILESCCC1CCC(C)N1CC(=O)c1ccccc1F
InChIInChI=1S/C15H20FNO/c1-3-12-9-8-11(2)17(12)10-15(18)13-6-4-5-7-14(13)16/h4-7,11-12H,3,8-10H2,1-2H3
InChIKeyIZQUIARSHHFUFF-UHFFFAOYSA-N
XLogP3.27
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.33
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone?
The IUPAC name of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone (CID 83220278) is 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone.
What is the SMILES notation for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone?
The canonical SMILES for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone is CCC1CCC(C)N1CC(=O)c1ccccc1F.
What is the InChIKey of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone?
The InChIKey is IZQUIARSHHFUFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO/c1-3-12-9-8-11(2)17(12)10-15(18)13-6-4-5-7-14(13)16/h4-7,11-12H,3,8-10H2,1-2H3.
What are the key properties of 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone?
2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone has a molecular weight of 249.33 g/mol, XLogP of 3.27, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethyl-5-methylpyrrolidin-1-yl)-1-(2-fluorophenyl)ethanone is sourced from PubChem (CID 83220278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).