3-ethyl-5-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-2-one

C14H18FNO — CID 3024939

IUPAC3-ethyl-5-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-2-one
SMILESCCC1(C)CC(Cc2ccccc2F)NC1=O
InChIInChI=1S/C14H18FNO/c1-3-14(2)9-11(16-13(14)17)8-10-6-4-5-7-12(10)15/h4-7,11H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyNCELJWJKTASLQV-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.67
Rot. Bonds3

About 3-ethyl-5-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-2-one

3-ethyl-5-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-2-one (PubChem CID 3024939) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-ethyl-5-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-ethyl-5-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-2-one
PubChem CID3024939
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name3-ethyl-5-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-2-one
SMILESCCC1(C)CC(Cc2ccccc2F)NC1=O
InChIInChI=1S/C14H18FNO/c1-3-14(2)9-11(16-13(14)17)8-10-6-4-5-7-12(10)15/h4-7,11H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyNCELJWJKTASLQV-UHFFFAOYSA-N
XLogP2.67
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-5-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-2-one 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 3-ethyl-5-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-2-one?
The IUPAC name of 3-ethyl-5-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-2-one (CID 3024939) is 3-ethyl-5-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-2-one.
What is the SMILES notation for 3-ethyl-5-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-2-one?
The canonical SMILES for 3-ethyl-5-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-2-one is CCC1(C)CC(Cc2ccccc2F)NC1=O.
What is the InChIKey of 3-ethyl-5-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-2-one?
The InChIKey is NCELJWJKTASLQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-3-14(2)9-11(16-13(14)17)8-10-6-4-5-7-12(10)15/h4-7,11H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 3-ethyl-5-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-2-one?
3-ethyl-5-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-2-one has a molecular weight of 235.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[(2-fluorophenyl)methyl]-3-methylpyrrolidin-2-one is sourced from PubChem (CID 3024939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).