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

C18H16FNO — CID 168685874

IUPAC4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(-c3ccc(F)cc3)cc2)C1
InChIInChI=1S/C18H16FNO/c1-2-13-11-18(21)20(12-13)17-9-5-15(6-10-17)14-3-7-16(19)8-4-14/h2-10,13H,1,11-12H2
InChIKeyHPCGPCOGUPKBRY-UHFFFAOYSA-N
MW281.33 g/mol
LogP4.03
Rot. Bonds3

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

4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one (PubChem CID 168685874) has the molecular formula C18H16FNO and a molecular weight of 281.33 g/mol. Its IUPAC name is 4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one
PubChem CID168685874
Molecular FormulaC18H16FNO
Molecular Weight281.33 g/mol
Exact Mass281.12
IUPAC Name4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(-c3ccc(F)cc3)cc2)C1
InChIInChI=1S/C18H16FNO/c1-2-13-11-18(21)20(12-13)17-9-5-15(6-10-17)14-3-7-16(19)8-4-14/h2-10,13H,1,11-12H2
InChIKeyHPCGPCOGUPKBRY-UHFFFAOYSA-N
XLogP4.03
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 168684815
4-ethenyl-1-(4-methylsulfonylphenyl)pyrrolidin-2-one
CID 168684610
4-ethenyl-1-(4-propylphenyl)pyrrolidin-2-one
CID 168684103
1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168686018
4-ethenyl-1-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]pyrrolidin-2-one
CID 168685050
4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzene-1,2-dicarbonitrile
CID 168685791
4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
CID 168686334
4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168684777
(4R)-1-(4-fluorophenyl)-4-(hydroxymethyl)pyrrolidin-2-one
CID 42259681
4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 168685621
1-[3-chloro-4-(trifluoromethyl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168686338
propan-2-yl 4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168683979

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one (CID 168685874) is 4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one is C=CC1CC(=O)N(c2ccc(-c3ccc(F)cc3)cc2)C1.
What is the InChIKey of 4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one?
The InChIKey is HPCGPCOGUPKBRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO/c1-2-13-11-18(21)20(12-13)17-9-5-15(6-10-17)14-3-7-16(19)8-4-14/h2-10,13H,1,11-12H2.
What are the key properties of 4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one?
4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one has a molecular weight of 281.33 g/mol, XLogP of 4.03, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one is sourced from PubChem (CID 168685874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).