1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one

C13H17FN2O — CID 54972964

IUPAC1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(CCc2cccc(F)c2)C1=O
InChIInChI=1S/C13H17FN2O/c1-15-12-6-8-16(13(12)17)7-5-10-3-2-4-11(14)9-10/h2-4,9,12,15H,5-8H2,1H3
InChIKeyHXPJAENMDMOOFU-UHFFFAOYSA-N
MW236.29 g/mol
LogP1.19
Rot. Bonds4

About 1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one

1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one (PubChem CID 54972964) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one
PubChem CID54972964
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC Name1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one
SMILESCNC1CCN(CCc2cccc(F)c2)C1=O
InChIInChI=1S/C13H17FN2O/c1-15-12-6-8-16(13(12)17)7-5-10-3-2-4-11(14)9-10/h2-4,9,12,15H,5-8H2,1H3
InChIKeyHXPJAENMDMOOFU-UHFFFAOYSA-N
XLogP1.19
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-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

Related Compounds

1-[2-(3-fluorophenyl)ethyl]-3-propyl-1,4-diazepane-2,5-dione
CID 64961025
3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione
CID 64960886
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-pyrrolidin-1-ylethyl)piperidine-3-carboxamide
CID 45242880
1-[2-(3-fluorophenyl)ethyl]-3,6-dimethylpiperazine-2,5-dione
CID 64960861
methyl 1-[(3R)-1-[2-(3-fluorophenyl)ethyl]-6-oxopiperidine-3-carbonyl]piperidine-4-carboxylate
CID 42343426
1-[2-(3-fluorophenyl)ethyl]-6-oxo-N-(2-piperidin-1-ylethyl)piperidine-3-carboxamide
CID 45197099
(5S)-5-ethyl-3-[2-(3-fluorophenyl)ethyl]imidazolidine-2,4-dione
CID 75483628
(3R)-1-[2-(3-fluorophenyl)ethyl]-N-methyl-N-(1-methylpiperidin-4-yl)-6-oxopiperidine-3-carboxamide
CID 26333421
4-[2-(3-fluorophenyl)ethyl]piperazine-2,6-dione
CID 63789963
1-[(3-fluorophenyl)methyl]-5-(methylamino)-5,6,7,8-tetrahydroquinolin-2-one
CID 81116316
6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione
CID 64960897
1-[2-(3-fluorophenyl)ethyl]-4-(methylaminomethyl)piperidin-4-ol
CID 95471751

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one?
The IUPAC name of 1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one (CID 54972964) is 1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one.
What is the SMILES notation for 1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one?
The canonical SMILES for 1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one is CNC1CCN(CCc2cccc(F)c2)C1=O.
What is the InChIKey of 1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one?
The InChIKey is HXPJAENMDMOOFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-15-12-6-8-16(13(12)17)7-5-10-3-2-4-11(14)9-10/h2-4,9,12,15H,5-8H2,1H3.
What are the key properties of 1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one?
1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one has a molecular weight of 236.29 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)ethyl]-3-(methylamino)pyrrolidin-2-one is sourced from PubChem (CID 54972964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).