4-ethenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one

C9H8F3N3O2 — CID 168686730

IUPAC4-ethenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C9H8F3N3O2/c1-2-5-3-6(16)15(4-5)8-14-13-7(17-8)9(10,11)12/h2,5H,1,3-4H2
InChIKeyVACPBUYHGDATIS-UHFFFAOYSA-N
MW247.18 g/mol
LogP1.63
Rot. Bonds2

About 4-ethenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one

4-ethenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one (PubChem CID 168686730) has the molecular formula C9H8F3N3O2 and a molecular weight of 247.18 g/mol. Its IUPAC name is 4-ethenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
PubChem CID168686730
Molecular FormulaC9H8F3N3O2
Molecular Weight247.18 g/mol
Exact Mass247.06
IUPAC Name4-ethenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2nnc(C(F)(F)F)o2)C1
InChIInChI=1S/C9H8F3N3O2/c1-2-5-3-6(16)15(4-5)8-14-13-7(17-8)9(10,11)12/h2,5H,1,3-4H2
InChIKeyVACPBUYHGDATIS-UHFFFAOYSA-N
XLogP1.63
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.18
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-1-(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-2-one
CID 168686728
4-ethenyl-1-[5-(trifluoromethyl)-3-pyridinyl]pyrrolidin-2-one
CID 168686316
1-[4-chloro-6-(trifluoromethyl)pyrimidin-2-yl]-4-ethenylpyrrolidin-2-one
CID 168686598
1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168713532
1-(5-tert-butyl-1,3,4-oxadiazol-2-yl)-4-ethynylpyrrolidin-2-one
CID 168500301
1-[5-bromo-4-(trifluoromethyl)pyrimidin-2-yl]-4-ethenylpyrrolidin-2-one
CID 168686153
1-[5-bromo-3-(trifluoromethyl)-2-pyridinyl]-4-ethenylpyrrolidin-2-one
CID 168685548
1-[5-chloro-2-(trifluoromethyl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168686213
4-ethenyl-1-[3-fluoro-2-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 168686481
4-ethenyl-1-pyrimidin-2-ylpyrrolidin-2-one
CID 168686694
1-(5-bromo-1,3-benzoxazol-2-yl)-4-ethenylpyrrolidin-2-one
CID 168686637
1-[3-chloro-4-(trifluoromethyl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168686338

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one (CID 168686730) is 4-ethenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one is C=CC1CC(=O)N(c2nnc(C(F)(F)F)o2)C1.
What is the InChIKey of 4-ethenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one?
The InChIKey is VACPBUYHGDATIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F3N3O2/c1-2-5-3-6(16)15(4-5)8-14-13-7(17-8)9(10,11)12/h2,5H,1,3-4H2.
What are the key properties of 4-ethenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one?
4-ethenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one has a molecular weight of 247.18 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 168686730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).