1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one

C13H13F2NO — CID 168684654

IUPAC1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(F)c(C)cc2F)C1
InChIInChI=1S/C13H13F2NO/c1-3-9-5-13(17)16(7-9)12-6-10(14)8(2)4-11(12)15/h3-4,6,9H,1,5,7H2,2H3
InChIKeyVXLCSKLGHNOUOC-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.81
Rot. Bonds2

About 1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one

1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one (PubChem CID 168684654) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one
PubChem CID168684654
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(F)c(C)cc2F)C1
InChIInChI=1S/C13H13F2NO/c1-3-9-5-13(17)16(7-9)12-6-10(14)8(2)4-11(12)15/h3-4,6,9H,1,5,7H2,2H3
InChIKeyVXLCSKLGHNOUOC-UHFFFAOYSA-N
XLogP2.81
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.81
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-(4-bromo-5-fluoro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684664
1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685609
4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 168684815
1-(2-bromo-4,5-difluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685708
1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684807
1-(5-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684817
4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 168685621
1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684671
1-(2,5-difluoro-4-methylphenyl)-5-oxopyrrolidine-3-carboxamide
CID 168696695
4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one
CID 168684826
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 168684949
1-(2-amino-4-bromo-5-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684699

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one (CID 168684654) is 1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2cc(F)c(C)cc2F)C1.
What is the InChIKey of 1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one?
The InChIKey is VXLCSKLGHNOUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c1-3-9-5-13(17)16(7-9)12-6-10(14)8(2)4-11(12)15/h3-4,6,9H,1,5,7H2,2H3.
What are the key properties of 1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one?
1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one has a molecular weight of 237.25 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168684654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).