4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one

C13H15FN2O — CID 168684306

IUPAC4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(F)ccc2NC)C1
InChIInChI=1S/C13H15FN2O/c1-3-9-6-13(17)16(8-9)12-7-10(14)4-5-11(12)15-2/h3-5,7,9,15H,1,6,8H2,2H3
InChIKeyQTKRTFDAJHLMJE-UHFFFAOYSA-N
MW234.27 g/mol
LogP2.41
Rot. Bonds3

About 4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one

4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one (PubChem CID 168684306) has the molecular formula C13H15FN2O and a molecular weight of 234.27 g/mol. Its IUPAC name is 4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one
PubChem CID168684306
Molecular FormulaC13H15FN2O
Molecular Weight234.27 g/mol
Exact Mass234.12
IUPAC Name4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(F)ccc2NC)C1
InChIInChI=1S/C13H15FN2O/c1-3-9-6-13(17)16(8-9)12-7-10(14)4-5-11(12)15-2/h3-5,7,9,15H,1,6,8H2,2H3
InChIKeyQTKRTFDAJHLMJE-UHFFFAOYSA-N
XLogP2.41
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-(aminomethyl)-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one
CID 168659436
methyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate
CID 168684357
1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168686018
[1-[5-fluoro-2-(methylamino)phenyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680983
4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one
CID 168684186
4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one
CID 168685874
N-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-methoxyphenyl]acetamide
CID 168684034
1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684654
4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 168685621
1-(2-bromo-4,5-difluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685708
methyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-2,6-difluorobenzoate
CID 168684318
1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684817

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one (CID 168684306) is 4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one is C=CC1CC(=O)N(c2cc(F)ccc2NC)C1.
What is the InChIKey of 4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one?
The InChIKey is QTKRTFDAJHLMJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FN2O/c1-3-9-6-13(17)16(8-9)12-7-10(14)4-5-11(12)15-2/h3-5,7,9,15H,1,6,8H2,2H3.
What are the key properties of 4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one?
4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one has a molecular weight of 234.27 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168684306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).