4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one

C12H10Cl3NO — CID 168685589

IUPAC4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C12H10Cl3NO/c1-2-7-3-11(17)16(6-7)12-9(14)4-8(13)5-10(12)15/h2,4-5,7H,1,3,6H2
InChIKeyHFBBIOWZDFTRIE-UHFFFAOYSA-N
MW290.58 g/mol
LogP4.19
Rot. Bonds2

About 4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one

4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one (PubChem CID 168685589) has the molecular formula C12H10Cl3NO and a molecular weight of 290.58 g/mol. Its IUPAC name is 4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one
PubChem CID168685589
Molecular FormulaC12H10Cl3NO
Molecular Weight290.58 g/mol
Exact Mass288.98
IUPAC Name4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2c(Cl)cc(Cl)cc2Cl)C1
InChIInChI=1S/C12H10Cl3NO/c1-2-7-3-11(17)16(6-7)12-9(14)4-8(13)5-10(12)15/h2,4-5,7H,1,3,6H2
InChIKeyHFBBIOWZDFTRIE-UHFFFAOYSA-N
XLogP4.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.58
LogP ≤ 54.19
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-chloro-2,4-difluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685609
1-(5-chloro-2-methylphenyl)-4-ethenylpyrrolidin-2-one
CID 168684807
1-(2-amino-6-chlorophenyl)-4-ethenylpyrrolidin-2-one
CID 168686471
1-(5-chloro-2-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168685740
1-(3,5-dichloro-4-hydroxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168685956
1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168686018
3-chloro-5-(4-ethenyl-2-oxopyrrolidin-1-yl)benzonitrile
CID 168686308
1-(2,6-dichloro-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168686355
1-[5-chloro-2-(trifluoromethyl)phenyl]-4-ethenylpyrrolidin-2-one
CID 168686213
1-(3,5-dibromo-4-pyridinyl)-4-ethenylpyrrolidin-2-one
CID 168685536
3-chloro-2-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoic acid
CID 168685566
1-(3-bromo-4-chlorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685785

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one (CID 168685589) is 4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one is C=CC1CC(=O)N(c2c(Cl)cc(Cl)cc2Cl)C1.
What is the InChIKey of 4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one?
The InChIKey is HFBBIOWZDFTRIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl3NO/c1-2-7-3-11(17)16(6-7)12-9(14)4-8(13)5-10(12)15/h2,4-5,7H,1,3,6H2.
What are the key properties of 4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one?
4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one has a molecular weight of 290.58 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168685589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).