4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one

C15H17Cl2NO — CID 168508185

IUPAC4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1CC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H17Cl2NO/c16-8-11-7-14(19)18(9-11)10-15(5-6-15)12-1-3-13(17)4-2-12/h1-4,11H,5-10H2
InChIKeyKDVSEIMCFJBYCO-UHFFFAOYSA-N
MW298.21 g/mol
LogP3.46
Rot. Bonds4

About 4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one

4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one (PubChem CID 168508185) has the molecular formula C15H17Cl2NO and a molecular weight of 298.21 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one
PubChem CID168508185
Molecular FormulaC15H17Cl2NO
Molecular Weight298.21 g/mol
Exact Mass297.07
IUPAC Name4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1CC1(c2ccc(Cl)cc2)CC1
InChIInChI=1S/C15H17Cl2NO/c16-8-11-7-14(19)18(9-11)10-15(5-6-15)12-1-3-13(17)4-2-12/h1-4,11H,5-10H2
InChIKeyKDVSEIMCFJBYCO-UHFFFAOYSA-N
XLogP3.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.21
LogP ≤ 53.46
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-[[1-(4-chlorophenyl)cyclopropyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681858
4-(chloromethyl)-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
CID 168508191
1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691319
4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one
CID 168662991
4-(chloromethyl)-1-[2-(2,5-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168508277
4-(chloromethyl)-1-[2-(2,4-dichlorophenyl)ethyl]pyrrolidin-2-one
CID 168508293
1-[(2-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)pyrrolidin-2-one
CID 168508474
4-(chloromethyl)-1-(cyclohexylmethyl)pyrrolidin-2-one
CID 168508195
1-(3-aminopropyl)-4-(chloromethyl)pyrrolidin-2-one
CID 168508223
4-(chloromethyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 168507981
4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
CID 168685186
4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one
CID 168508347

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one (CID 168508185) is 4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one is O=C1CC(CCl)CN1CC1(c2ccc(Cl)cc2)CC1.
What is the InChIKey of 4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one?
The InChIKey is KDVSEIMCFJBYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO/c16-8-11-7-14(19)18(9-11)10-15(5-6-15)12-1-3-13(17)4-2-12/h1-4,11H,5-10H2.
What are the key properties of 4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one?
4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one has a molecular weight of 298.21 g/mol, XLogP of 3.46, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 168508185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).