4-chloro-1-[1-(4-methylphenoxy)propan-2-yl]pyrrolidin-2-one

C14H18ClNO2 — CID 168686871

IUPAC4-chloro-1-[1-(4-methylphenoxy)propan-2-yl]pyrrolidin-2-one
SMILESCc1ccc(OCC(C)N2CC(Cl)CC2=O)cc1
InChIInChI=1S/C14H18ClNO2/c1-10-3-5-13(6-4-10)18-9-11(2)16-8-12(15)7-14(16)17/h3-6,11-12H,7-9H2,1-2H3
InChIKeyFJECOGLLHQEZAH-UHFFFAOYSA-N
MW267.76 g/mol
LogP2.60
Rot. Bonds4

About 4-chloro-1-[1-(4-methylphenoxy)propan-2-yl]pyrrolidin-2-one

4-chloro-1-[1-(4-methylphenoxy)propan-2-yl]pyrrolidin-2-one (PubChem CID 168686871) has the molecular formula C14H18ClNO2 and a molecular weight of 267.76 g/mol. Its IUPAC name is 4-chloro-1-[1-(4-methylphenoxy)propan-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-chloro-1-[1-(4-methylphenoxy)propan-2-yl]pyrrolidin-2-one
PubChem CID168686871
Molecular FormulaC14H18ClNO2
Molecular Weight267.76 g/mol
Exact Mass267.10
IUPAC Name4-chloro-1-[1-(4-methylphenoxy)propan-2-yl]pyrrolidin-2-one
SMILESCc1ccc(OCC(C)N2CC(Cl)CC2=O)cc1
InChIInChI=1S/C14H18ClNO2/c1-10-3-5-13(6-4-10)18-9-11(2)16-8-12(15)7-14(16)17/h3-6,11-12H,7-9H2,1-2H3
InChIKeyFJECOGLLHQEZAH-UHFFFAOYSA-N
XLogP2.60
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.76
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-[3-hydroxy-1-(4-methylphenyl)propyl]pyrrolidin-2-one
CID 168687009
4-chloro-1-[1-(3-ethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168686961
4-chloro-1-[1-(2-ethoxyphenyl)ethyl]pyrrolidin-2-one
CID 168686960
(3S)-1-[(2R)-1-methoxypropan-2-yl]-N-[(4-methylphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 9365066
1-[1-(4-tert-butylphenyl)ethyl]-4-chloropyrrolidin-2-one
CID 168686900
2-chloro-3-(4-methylphenoxy)propanoic acid
CID 22378514
1-[[4-(2-methylpropoxy)phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168690490
1-[(2R)-4-(4-chlorophenoxy)butan-2-yl]-4-methylpiperidine-2,6-dione
CID 11823033
[1-[1-(2,6-dimethylphenoxy)propan-2-yl]-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168680220
1-(2,4-dimethylheptoxy)-4-methylbenzene
CID 144527074
(4-methylphenyl)-[4-(2-methylpropoxy)phenyl]methanone
CID 786610
1-[1-(4-methylphenyl)ethyl]-4-sulfanylpyrrolidin-2-one
CID 168707660

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[1-(4-methylphenoxy)propan-2-yl]pyrrolidin-2-one?
The IUPAC name of 4-chloro-1-[1-(4-methylphenoxy)propan-2-yl]pyrrolidin-2-one (CID 168686871) is 4-chloro-1-[1-(4-methylphenoxy)propan-2-yl]pyrrolidin-2-one.
What is the SMILES notation for 4-chloro-1-[1-(4-methylphenoxy)propan-2-yl]pyrrolidin-2-one?
The canonical SMILES for 4-chloro-1-[1-(4-methylphenoxy)propan-2-yl]pyrrolidin-2-one is Cc1ccc(OCC(C)N2CC(Cl)CC2=O)cc1.
What is the InChIKey of 4-chloro-1-[1-(4-methylphenoxy)propan-2-yl]pyrrolidin-2-one?
The InChIKey is FJECOGLLHQEZAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClNO2/c1-10-3-5-13(6-4-10)18-9-11(2)16-8-12(15)7-14(16)17/h3-6,11-12H,7-9H2,1-2H3.
What are the key properties of 4-chloro-1-[1-(4-methylphenoxy)propan-2-yl]pyrrolidin-2-one?
4-chloro-1-[1-(4-methylphenoxy)propan-2-yl]pyrrolidin-2-one has a molecular weight of 267.76 g/mol, XLogP of 2.60, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[1-(4-methylphenoxy)propan-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 168686871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).