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

C12H12ClNO2 — CID 168685740

IUPAC1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(Cl)ccc2O)C1
InChIInChI=1S/C12H12ClNO2/c1-2-8-5-12(16)14(7-8)10-6-9(13)3-4-11(10)15/h2-4,6,8,15H,1,5,7H2
InChIKeyVCEQCCYNPMKSQL-UHFFFAOYSA-N
MW237.69 g/mol
LogP2.58
Rot. Bonds2

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

1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one (PubChem CID 168685740) has the molecular formula C12H12ClNO2 and a molecular weight of 237.69 g/mol. Its IUPAC name is 1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
PubChem CID168685740
Molecular FormulaC12H12ClNO2
Molecular Weight237.69 g/mol
Exact Mass237.06
IUPAC Name1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(Cl)ccc2O)C1
InChIInChI=1S/C12H12ClNO2/c1-2-8-5-12(16)14(7-8)10-6-9(13)3-4-11(10)15/h2-4,6,8,15H,1,5,7H2
InChIKeyVCEQCCYNPMKSQL-UHFFFAOYSA-N
XLogP2.58
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684807
1-[5-chloro-2-(trifluoromethyl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168686213
1-(5-chloro-2-hydroxy-4-nitrophenyl)-4-ethenylpyrrolidin-2-one
CID 168685655
1-(5-chloro-2-hydroxyphenyl)-4-ethynylpyrrolidin-2-one
CID 168502101
4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one
CID 168685589
1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685609
[1-(5-chloro-2-hydroxyphenyl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168682419
1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168685956
4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 168685621
1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168686018
1-(5-bromo-3-fluoro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168686294
N-[4-chloro-3-(4-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 168684027

Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one (CID 168685740) is 1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2cc(Cl)ccc2O)C1.
What is the InChIKey of 1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one?
The InChIKey is VCEQCCYNPMKSQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClNO2/c1-2-8-5-12(16)14(7-8)10-6-9(13)3-4-11(10)15/h2-4,6,8,15H,1,5,7H2.
What are the key properties of 1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one?
1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one has a molecular weight of 237.69 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168685740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).