1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one

C12H11ClFNO — CID 168686018

IUPAC1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(F)cc2Cl)C1
InChIInChI=1S/C12H11ClFNO/c1-2-8-5-12(16)15(7-8)11-4-3-9(14)6-10(11)13/h2-4,6,8H,1,5,7H2
InChIKeyBZIFFZWEJOSXRX-UHFFFAOYSA-N
MW239.68 g/mol
LogP3.02
Rot. Bonds2

About 1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one

1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one (PubChem CID 168686018) has the molecular formula C12H11ClFNO and a molecular weight of 239.68 g/mol. Its IUPAC name is 1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one
PubChem CID168686018
Molecular FormulaC12H11ClFNO
Molecular Weight239.68 g/mol
Exact Mass239.05
IUPAC Name1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(F)cc2Cl)C1
InChIInChI=1S/C12H11ClFNO/c1-2-8-5-12(16)15(7-8)11-4-3-9(14)6-10(11)13/h2-4,6,8H,1,5,7H2
InChIKeyBZIFFZWEJOSXRX-UHFFFAOYSA-N
XLogP3.02
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 53.02
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

1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685609
4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one
CID 168684306
4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one
CID 168684186
4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 168685621
4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one
CID 168685589
[1-(2-chloro-4-fluorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682696
4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one
CID 168685874
methyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate
CID 168684357
1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168685740
1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684807
1-[5-chloro-2-(trifluoromethyl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168686213
1-(2-bromo-4,5-difluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685708

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one (CID 168686018) is 1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2ccc(F)cc2Cl)C1.
What is the InChIKey of 1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one?
The InChIKey is BZIFFZWEJOSXRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClFNO/c1-2-8-5-12(16)15(7-8)11-4-3-9(14)6-10(11)13/h2-4,6,8H,1,5,7H2.
What are the key properties of 1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one?
1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one has a molecular weight of 239.68 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168686018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).