1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one

C14H15Cl2NO — CID 168683556

IUPAC1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(C(C)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H15Cl2NO/c1-3-10-6-14(18)17(8-10)9(2)11-4-5-12(15)13(16)7-11/h3-5,7,9-10H,1,6,8H2,2H3
InChIKeyOOSQINHCDZXREZ-UHFFFAOYSA-N
MW284.19 g/mol
LogP4.09
Rot. Bonds3

About 1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one

1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one (PubChem CID 168683556) has the molecular formula C14H15Cl2NO and a molecular weight of 284.19 g/mol. Its IUPAC name is 1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one
PubChem CID168683556
Molecular FormulaC14H15Cl2NO
Molecular Weight284.19 g/mol
Exact Mass283.05
IUPAC Name1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(C(C)c2ccc(Cl)c(Cl)c2)C1
InChIInChI=1S/C14H15Cl2NO/c1-3-10-6-14(18)17(8-10)9(2)11-4-5-12(15)13(16)7-11/h3-5,7,9-10H,1,6,8H2,2H3
InChIKeyOOSQINHCDZXREZ-UHFFFAOYSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 54.09
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

4-(aminomethyl)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168658795
4-ethenyl-1-[1-(4-ethylphenyl)ethyl]pyrrolidin-2-one
CID 168683642
4-ethenyl-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168683636
4-(chloromethyl)-1-[1-(3-chlorophenyl)ethyl]pyrrolidin-2-one
CID 168506584
2-(4-ethenyl-2-oxopyrrolidin-1-yl)-2-(4-methoxyphenyl)acetic acid
CID 168683655
(3S)-1-[1-(3,4-dichlorophenyl)ethyl]pyrrolidin-3-ol
CID 111333775
1-[1-(4-chlorophenyl)ethyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168669235
4-ethenyl-1-[1-(5-methyl-1H-pyrazol-3-yl)propan-2-yl]pyrrolidin-2-one
CID 168683551
N-[4-chloro-3-(4-ethenyl-2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 168684027
1-(3-bromo-4-chlorophenyl)-4-ethenylpyrrolidin-2-one
CID 168685785
4-ethenyl-1-(2,4,6-trichlorophenyl)pyrrolidin-2-one
CID 168685589
1-[1-(3,4-dimethylphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168707654

Frequently Asked Questions

What is the IUPAC name of 1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one (CID 168683556) is 1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(C(C)c2ccc(Cl)c(Cl)c2)C1.
What is the InChIKey of 1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one?
The InChIKey is OOSQINHCDZXREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2NO/c1-3-10-6-14(18)17(8-10)9(2)11-4-5-12(15)13(16)7-11/h3-5,7,9-10H,1,6,8H2,2H3.
What are the key properties of 1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one?
1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one has a molecular weight of 284.19 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(3,4-dichlorophenyl)ethyl]-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168683556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).