4-ethenyl-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one

C13H12F3NO2 — CID 168686502

IUPAC4-ethenyl-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C13H12F3NO2/c1-2-9-6-12(18)17(8-9)10-4-3-5-11(7-10)19-13(14,15)16/h2-5,7,9H,1,6,8H2
InChIKeyISGVEXMDTPOYHV-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.12
Rot. Bonds3

About 4-ethenyl-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one

4-ethenyl-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one (PubChem CID 168686502) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is 4-ethenyl-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
PubChem CID168686502
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name4-ethenyl-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cccc(OC(F)(F)F)c2)C1
InChIInChI=1S/C13H12F3NO2/c1-2-9-6-12(18)17(8-9)10-4-3-5-11(7-10)19-13(14,15)16/h2-5,7,9H,1,6,8H2
InChIKeyISGVEXMDTPOYHV-UHFFFAOYSA-N
XLogP3.12
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[2-bromo-4-(trifluoromethoxy)phenyl]-4-ethenylpyrrolidin-2-one
CID 168686037
[5-oxo-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677693
1-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168684975
1-[3-chloro-4-(trifluoromethyl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168686338
4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 168684815
4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzene-1,2-dicarbonitrile
CID 168685791
4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one
CID 168685874
4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
CID 168686334
4-ethenyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168686481
4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one
CID 168686316
5-(4-ethenyl-2-oxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168686322
1-(3-bromo-4-chlorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685785

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one (CID 168686502) is 4-ethenyl-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one is C=CC1CC(=O)N(c2cccc(OC(F)(F)F)c2)C1.
What is the InChIKey of 4-ethenyl-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
The InChIKey is ISGVEXMDTPOYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c1-2-9-6-12(18)17(8-9)10-4-3-5-11(7-10)19-13(14,15)16/h2-5,7,9H,1,6,8H2.
What are the key properties of 4-ethenyl-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one?
4-ethenyl-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one has a molecular weight of 271.24 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[3-(trifluoromethoxy)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168686502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).