4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one

C11H10Cl3NO — CID 168508820

IUPAC4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl3NO/c12-5-7-3-11(16)15(6-7)8-1-2-9(13)10(14)4-8/h1-2,4,7H,3,5-6H2
InChIKeyMWHSFWSSYFLNRM-UHFFFAOYSA-N
MW278.57 g/mol
LogP3.59
Rot. Bonds2

About 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one

4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one (PubChem CID 168508820) has the molecular formula C11H10Cl3NO and a molecular weight of 278.57 g/mol. Its IUPAC name is 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
PubChem CID168508820
Molecular FormulaC11H10Cl3NO
Molecular Weight278.57 g/mol
Exact Mass276.98
IUPAC Name4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H10Cl3NO/c12-5-7-3-11(16)15(6-7)8-1-2-9(13)10(14)4-8/h1-2,4,7H,3,5-6H2
InChIKeyMWHSFWSSYFLNRM-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.57
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

[1-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methanesulfonyl fluoride
CID 168677009
4-(azidomethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one
CID 168657747
4-(chloromethyl)-1-(3,4-dibromophenyl)pyrrolidin-2-one
CID 168508786
1-(1,3-benzothiazol-5-yl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508876
4-(chloromethyl)-1-(3-fluoro-4-hydroxyphenyl)pyrrolidin-2-one
CID 168508834
4-(chloromethyl)-1-(4-fluoro-3-methylphenyl)pyrrolidin-2-one
CID 168507722
4-(chloromethyl)-1-(4-methoxy-3-methylphenyl)pyrrolidin-2-one
CID 168507729
4-(chloromethyl)-1-(3-methyl-2H-indazol-6-yl)pyrrolidin-2-one
CID 168508054
4-[[1-(3,4-dichlorophenyl)-5-oxopyrrolidin-3-yl]methoxy]benzoic acid
CID 10045310
N-[4-[4-(chloromethyl)-2-oxopyrrolidin-1-yl]phenyl]acetamide
CID 168507034
1-(4-chloro-3-fluorophenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671508
4-(chloromethyl)-1-(5-oxo-7,8-dihydro-6H-naphthalen-2-yl)pyrrolidin-2-one
CID 168508813

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one (CID 168508820) is 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one is O=C1CC(CCl)CN1c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one?
The InChIKey is MWHSFWSSYFLNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl3NO/c12-5-7-3-11(16)15(6-7)8-1-2-9(13)10(14)4-8/h1-2,4,7H,3,5-6H2.
What are the key properties of 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one?
4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one has a molecular weight of 278.57 g/mol, XLogP of 3.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-(3,4-dichlorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168508820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).