4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one

C12H10F3NO — CID 168685621

IUPAC4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(F)c(F)c2F)C1
InChIInChI=1S/C12H10F3NO/c1-2-7-5-10(17)16(6-7)9-4-3-8(13)11(14)12(9)15/h2-4,7H,1,5-6H2
InChIKeyYQYBFMODBXZDMW-UHFFFAOYSA-N
MW241.21 g/mol
LogP2.64
Rot. Bonds2

About 4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one

4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one (PubChem CID 168685621) has the molecular formula C12H10F3NO and a molecular weight of 241.21 g/mol. Its IUPAC name is 4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
PubChem CID168685621
Molecular FormulaC12H10F3NO
Molecular Weight241.21 g/mol
Exact Mass241.07
IUPAC Name4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(F)c(F)c2F)C1
InChIInChI=1S/C12H10F3NO/c1-2-7-5-10(17)16(6-7)9-4-3-8(13)11(14)12(9)15/h2-4,7H,1,5-6H2
InChIKeyYQYBFMODBXZDMW-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

methyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-2,6-difluorobenzoate
CID 168684318
1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168686018
1-(2-bromo-4,5-difluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685708
1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685609
1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684807
1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168685740
1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684654
4-ethenyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168686481
1-[5-chloro-2-(trifluoromethyl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168686213
5-oxo-1-(2,3,4-trifluorophenyl)pyrrolidine-3-sulfonamide
CID 168718544
4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one
CID 168685874
5-bromo-2-(4-ethenyl-2-oxopyrrolidin-1-yl)benzaldehyde
CID 168685774

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one (CID 168685621) is 4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one is C=CC1CC(=O)N(c2ccc(F)c(F)c2F)C1.
What is the InChIKey of 4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one?
The InChIKey is YQYBFMODBXZDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO/c1-2-7-5-10(17)16(6-7)9-4-3-8(13)11(14)12(9)15/h2-4,7H,1,5-6H2.
What are the key properties of 4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one?
4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one has a molecular weight of 241.21 g/mol, XLogP of 2.64, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168685621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).