1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one

C12H11Cl2NO2 — CID 168685956

IUPAC1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(Cl)c(O)c(Cl)c2)C1
InChIInChI=1S/C12H11Cl2NO2/c1-2-7-3-11(16)15(6-7)8-4-9(13)12(17)10(14)5-8/h2,4-5,7,17H,1,3,6H2
InChIKeySFCHVWXGZJEVHO-UHFFFAOYSA-N
MW272.13 g/mol
LogP3.24
Rot. Bonds2

About 1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one

1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one (PubChem CID 168685956) has the molecular formula C12H11Cl2NO2 and a molecular weight of 272.13 g/mol. Its IUPAC name is 1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
PubChem CID168685956
Molecular FormulaC12H11Cl2NO2
Molecular Weight272.13 g/mol
Exact Mass271.02
IUPAC Name1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2cc(Cl)c(O)c(Cl)c2)C1
InChIInChI=1S/C12H11Cl2NO2/c1-2-7-3-11(16)15(6-7)8-4-9(13)12(17)10(14)5-8/h2,4-5,7,17H,1,3,6H2
InChIKeySFCHVWXGZJEVHO-UHFFFAOYSA-N
XLogP3.24
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.13
LogP ≤ 53.24
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-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686355
5-(4-ethenyl-2-oxopyrrolidin-1-yl)benzene-1,3-dicarboxylic acid
CID 168686322
1-(3-bromo-4-chlorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685785
1-[3-chloro-4-(trifluoromethyl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168686338
4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one
CID 168685589
(3S)-1-(3,5-dichloro-4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 94076252
1-(3,5-dichloro-4-hydroxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 50874094
4-ethenyl-1-(3,4,5-trimethylphenyl)pyrrolidin-2-one
CID 168684949
3-chloro-5-(4-ethenyl-2-oxopyrrolidin-1-yl)benzonitrile
CID 168686308
1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168685740
methyl 3-chloro-5-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168684387
1-(5-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685609

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one (CID 168685956) is 1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(c2cc(Cl)c(O)c(Cl)c2)C1.
What is the InChIKey of 1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one?
The InChIKey is SFCHVWXGZJEVHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2NO2/c1-2-7-3-11(16)15(6-7)8-4-9(13)12(17)10(14)5-8/h2,4-5,7,17H,1,3,6H2.
What are the key properties of 1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one?
1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one has a molecular weight of 272.13 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168685956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).