1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one

C13H14ClNO — CID 168684807

IUPAC1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(Cl)ccc2C)C1
InChIInChI=1S/C13H14ClNO/c1-3-10-6-13(16)15(8-10)12-7-11(14)5-4-9(12)2/h3-5,7,10H,1,6,8H2,2H3
InChIKeyDENOZEDEPSSCIP-UHFFFAOYSA-N
MW235.71 g/mol
LogP3.19
Rot. Bonds2

About 1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one

1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one (PubChem CID 168684807) has the molecular formula C13H14ClNO and a molecular weight of 235.71 g/mol. Its IUPAC name is 1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
PubChem CID168684807
Molecular FormulaC13H14ClNO
Molecular Weight235.71 g/mol
Exact Mass235.08
IUPAC Name1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(Cl)ccc2C)C1
InChIInChI=1S/C13H14ClNO/c1-3-10-6-13(16)15(8-10)12-7-11(14)5-4-9(12)2/h3-5,7,10H,1,6,8H2,2H3
InChIKeyDENOZEDEPSSCIP-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.71
LogP ≤ 53.19
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-amino-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684817
1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168685740
4-ethenyl-1-(2-methyl-5-methylsulfonylphenyl)pyrrolidin-2-one
CID 168684826
1-[5-chloro-2-(trifluoromethyl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168686213
1-(2,5-difluoro-4-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684654
1-(4-bromo-5-fluoro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684664
1-(4,5-dimethoxy-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684671
4-ethenyl-1-(3-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 168684815
4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one
CID 168685589
1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685609
4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 168685621
1-(2-bromo-5-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684750

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one (CID 168684807) is 1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2cc(Cl)ccc2C)C1.
What is the InChIKey of 1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one?
The InChIKey is DENOZEDEPSSCIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClNO/c1-3-10-6-13(16)15(8-10)12-7-11(14)5-4-9(12)2/h3-5,7,10H,1,6,8H2,2H3.
What are the key properties of 1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one?
1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one has a molecular weight of 235.71 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168684807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).