2-(4-chlorophenoxy)-1-pyrrolidin-1-ylethanone

C12H14ClNO2 — CID 717650

IUPAC2-(4-chlorophenoxy)-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C12H14ClNO2/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2
InChIKeyJZIDYAZQVPGXGR-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.34
Rot. Bonds3

About 2-(4-chlorophenoxy)-1-pyrrolidin-1-ylethanone

2-(4-chlorophenoxy)-1-pyrrolidin-1-ylethanone (PubChem CID 717650) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-1-pyrrolidin-1-ylethanone
PubChem CID717650
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Name2-(4-chlorophenoxy)-1-pyrrolidin-1-ylethanone
SMILESO=C(COc1ccc(Cl)cc1)N1CCCC1
InChIInChI=1S/C12H14ClNO2/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2
InChIKeyJZIDYAZQVPGXGR-UHFFFAOYSA-N
XLogP2.34
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenoxy)-1-pyrrolidin-1-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(4-chlorophenoxy)-1-pyrrolidin-1-ylethanone (CID 717650) is 2-(4-chlorophenoxy)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(4-chlorophenoxy)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(4-chlorophenoxy)-1-pyrrolidin-1-ylethanone is O=C(COc1ccc(Cl)cc1)N1CCCC1.
What is the InChIKey of 2-(4-chlorophenoxy)-1-pyrrolidin-1-ylethanone?
The InChIKey is JZIDYAZQVPGXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c13-10-3-5-11(6-4-10)16-9-12(15)14-7-1-2-8-14/h3-6H,1-2,7-9H2.
What are the key properties of 2-(4-chlorophenoxy)-1-pyrrolidin-1-ylethanone?
2-(4-chlorophenoxy)-1-pyrrolidin-1-ylethanone has a molecular weight of 239.70 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 717650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).