4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one

C13H14FNO — CID 168684815

IUPAC4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(C)c(F)c2)C1
InChIInChI=1S/C13H14FNO/c1-3-10-6-13(16)15(8-10)11-5-4-9(2)12(14)7-11/h3-5,7,10H,1,6,8H2,2H3
InChIKeyFEAPYZJYOSFWGN-UHFFFAOYSA-N
MW219.26 g/mol
LogP2.67
Rot. Bonds2

About 4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one

4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one (PubChem CID 168684815) has the molecular formula C13H14FNO and a molecular weight of 219.26 g/mol. Its IUPAC name is 4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
PubChem CID168684815
Molecular FormulaC13H14FNO
Molecular Weight219.26 g/mol
Exact Mass219.11
IUPAC Name4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(C)c(F)c2)C1
InChIInChI=1S/C13H14FNO/c1-3-10-6-13(16)15(8-10)11-5-4-9(2)12(14)7-11/h3-5,7,10H,1,6,8H2,2H3
InChIKeyFEAPYZJYOSFWGN-UHFFFAOYSA-N
XLogP2.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.26
LogP ≤ 52.67
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-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684654
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 168684949
1-(2,3-dimethylquinoxalin-6-yl)-4-ethenylpyrrolidin-2-one
CID 168684643
4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one
CID 168685874
1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684807
(3R)-1-(3-fluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 7378747
1-[3-(2,5-dimethylpyrrol-1-yl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168684975
4-(4-ethenyl-2-oxopyrrolidin-1-yl)benzene-1,2-dicarbonitrile
CID 168685791
4-ethenyl-1-(6-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168684777
1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684817
4-ethenyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-one
CID 168686334
1-(4-bromo-5-fluoro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684664

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one (CID 168684815) is 4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one is C=CC1CC(=O)N(c2ccc(C)c(F)c2)C1.
What is the InChIKey of 4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one?
The InChIKey is FEAPYZJYOSFWGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO/c1-3-10-6-13(16)15(8-10)11-5-4-9(2)12(14)7-11/h3-5,7,10H,1,6,8H2,2H3.
What are the key properties of 4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one?
4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one has a molecular weight of 219.26 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one is sourced from PubChem (CID 168684815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).