3-(3-chlorophenyl)pyrrolidine

C10H12ClN — CID 18337166

IUPAC3-(3-chlorophenyl)pyrrolidine
SMILESClc1cccc(C2CCNC2)c1
InChIInChI=1S/C10H12ClN/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-3,6,9,12H,4-5,7H2
InChIKeyFQSUFJMIMCTWRI-UHFFFAOYSA-N
MW181.67 g/mol
LogP2.42
Rot. Bonds1

About 3-(3-chlorophenyl)pyrrolidine

3-(3-chlorophenyl)pyrrolidine (PubChem CID 18337166) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 3-(3-chlorophenyl)pyrrolidine.

Molecular Properties

Compound Name3-(3-chlorophenyl)pyrrolidine
PubChem CID18337166
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name3-(3-chlorophenyl)pyrrolidine
SMILESClc1cccc(C2CCNC2)c1
InChIInChI=1S/C10H12ClN/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-3,6,9,12H,4-5,7H2
InChIKeyFQSUFJMIMCTWRI-UHFFFAOYSA-N
XLogP2.42
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(3-chlorophenyl)pyrrolidine 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 3-(3-chlorophenyl)pyrrolidine?
The IUPAC name of 3-(3-chlorophenyl)pyrrolidine (CID 18337166) is 3-(3-chlorophenyl)pyrrolidine.
What is the SMILES notation for 3-(3-chlorophenyl)pyrrolidine?
The canonical SMILES for 3-(3-chlorophenyl)pyrrolidine is Clc1cccc(C2CCNC2)c1.
What is the InChIKey of 3-(3-chlorophenyl)pyrrolidine?
The InChIKey is FQSUFJMIMCTWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c11-10-3-1-2-8(6-10)9-4-5-12-7-9/h1-3,6,9,12H,4-5,7H2.
What are the key properties of 3-(3-chlorophenyl)pyrrolidine?
3-(3-chlorophenyl)pyrrolidine has a molecular weight of 181.67 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)pyrrolidine is sourced from PubChem (CID 18337166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).