3-(3-chlorophenyl)pyrrolidine;hydrochloride

C10H13Cl2N — CID 45073975

IUPAC3-(3-chlorophenyl)pyrrolidine;hydrochloride
SMILESCl.Clc1cccc(C2CCNC2)c1
InChIInChI=1S/C10H12ClN.ClH/c11-10-3-1-2-8(6-10)9-4-5-12-7-9;/h1-3,6,9,12H,4-5,7H2;1H
InChIKeyYUSUCGUNQJAOLL-UHFFFAOYSA-N
MW218.13 g/mol
LogP2.84
Rot. Bonds1

About 3-(3-chlorophenyl)pyrrolidine;hydrochloride

3-(3-chlorophenyl)pyrrolidine;hydrochloride (PubChem CID 45073975) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is 3-(3-chlorophenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(3-chlorophenyl)pyrrolidine;hydrochloride
PubChem CID45073975
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name3-(3-chlorophenyl)pyrrolidine;hydrochloride
SMILESCl.Clc1cccc(C2CCNC2)c1
InChIInChI=1S/C10H12ClN.ClH/c11-10-3-1-2-8(6-10)9-4-5-12-7-9;/h1-3,6,9,12H,4-5,7H2;1H
InChIKeyYUSUCGUNQJAOLL-UHFFFAOYSA-N
XLogP2.84
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)pyrrolidine;hydrochloride?
The IUPAC name of 3-(3-chlorophenyl)pyrrolidine;hydrochloride (CID 45073975) is 3-(3-chlorophenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(3-chlorophenyl)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(3-chlorophenyl)pyrrolidine;hydrochloride is Cl.Clc1cccc(C2CCNC2)c1.
What is the InChIKey of 3-(3-chlorophenyl)pyrrolidine;hydrochloride?
The InChIKey is YUSUCGUNQJAOLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN.ClH/c11-10-3-1-2-8(6-10)9-4-5-12-7-9;/h1-3,6,9,12H,4-5,7H2;1H.
What are the key properties of 3-(3-chlorophenyl)pyrrolidine;hydrochloride?
3-(3-chlorophenyl)pyrrolidine;hydrochloride has a molecular weight of 218.13 g/mol, XLogP of 2.84, 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;hydrochloride is sourced from PubChem (CID 45073975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).