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

C17H22ClNO — CID 168508191

IUPAC4-(chloromethyl)-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1CC1(c2ccccc2)CCCC1
InChIInChI=1S/C17H22ClNO/c18-11-14-10-16(20)19(12-14)13-17(8-4-5-9-17)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2
InChIKeyYMSSIPWJSNHXIH-UHFFFAOYSA-N
MW291.82 g/mol
LogP3.59
Rot. Bonds4

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

4-(chloromethyl)-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one (PubChem CID 168508191) has the molecular formula C17H22ClNO and a molecular weight of 291.82 g/mol. Its IUPAC name is 4-(chloromethyl)-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-(chloromethyl)-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
PubChem CID168508191
Molecular FormulaC17H22ClNO
Molecular Weight291.82 g/mol
Exact Mass291.14
IUPAC Name4-(chloromethyl)-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
SMILESO=C1CC(CCl)CN1CC1(c2ccccc2)CCCC1
InChIInChI=1S/C17H22ClNO/c18-11-14-10-16(20)19(12-14)13-17(8-4-5-9-17)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2
InChIKeyYMSSIPWJSNHXIH-UHFFFAOYSA-N
XLogP3.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.82
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

4-(chloromethyl)-1-[[1-(4-chlorophenyl)cyclopropyl]methyl]pyrrolidin-2-one
CID 168508185
4-(hydroxymethyl)-1-[(1-phenylcyclopropyl)methyl]pyrrolidin-2-one
CID 168662991
4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
CID 168685186
1-[[1-(4-chlorophenyl)cyclobutyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168691319
4-(chloromethyl)-1-[(2S)-2-hydroxy-2-phenylethyl]pyrrolidin-2-one
CID 168506792
[1-[[1-(4-chlorophenyl)cyclopropyl]methyl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681858
4-ethenyl-1-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one
CID 168685185
4-(chloromethyl)-1-(cyclohexylmethyl)pyrrolidin-2-one
CID 168508195
1-[(2-chloro-3-fluorophenyl)methyl]-4-(chloromethyl)pyrrolidin-2-one
CID 168508474
4-(chloromethyl)-1-[2-(4-methylphenyl)ethyl]pyrrolidin-2-one
CID 168507981
4-(chloromethyl)-1-[2-(furan-3-yl)ethyl]pyrrolidin-2-one
CID 168508347
1-[[1-(2-fluorophenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714779

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one?
The IUPAC name of 4-(chloromethyl)-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one (CID 168508191) is 4-(chloromethyl)-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-(chloromethyl)-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 4-(chloromethyl)-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one is O=C1CC(CCl)CN1CC1(c2ccccc2)CCCC1.
What is the InChIKey of 4-(chloromethyl)-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one?
The InChIKey is YMSSIPWJSNHXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClNO/c18-11-14-10-16(20)19(12-14)13-17(8-4-5-9-17)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2.
What are the key properties of 4-(chloromethyl)-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one?
4-(chloromethyl)-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one has a molecular weight of 291.82 g/mol, XLogP of 3.59, 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-phenylcyclopentyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 168508191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).