1-(3,5-dichlorophenyl)pyrrolidine

C10H11Cl2N — CID 67936791

IUPAC1-(3,5-dichlorophenyl)pyrrolidine
SMILESClc1cc(Cl)cc(N2CCCC2)c1
InChIInChI=1S/C10H11Cl2N/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h5-7H,1-4H2
InChIKeyPVWBSMHATJNYSI-UHFFFAOYSA-N
MW216.11 g/mol
LogP3.59
Rot. Bonds1

About 1-(3,5-dichlorophenyl)pyrrolidine

1-(3,5-dichlorophenyl)pyrrolidine (PubChem CID 67936791) has the molecular formula C10H11Cl2N and a molecular weight of 216.11 g/mol. Its IUPAC name is 1-(3,5-dichlorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3,5-dichlorophenyl)pyrrolidine
PubChem CID67936791
Molecular FormulaC10H11Cl2N
Molecular Weight216.11 g/mol
Exact Mass215.03
IUPAC Name1-(3,5-dichlorophenyl)pyrrolidine
SMILESClc1cc(Cl)cc(N2CCCC2)c1
InChIInChI=1S/C10H11Cl2N/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h5-7H,1-4H2
InChIKeyPVWBSMHATJNYSI-UHFFFAOYSA-N
XLogP3.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.11
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dichlorophenyl)pyrrolidine?
The IUPAC name of 1-(3,5-dichlorophenyl)pyrrolidine (CID 67936791) is 1-(3,5-dichlorophenyl)pyrrolidine.
What is the SMILES notation for 1-(3,5-dichlorophenyl)pyrrolidine?
The canonical SMILES for 1-(3,5-dichlorophenyl)pyrrolidine is Clc1cc(Cl)cc(N2CCCC2)c1.
What is the InChIKey of 1-(3,5-dichlorophenyl)pyrrolidine?
The InChIKey is PVWBSMHATJNYSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11Cl2N/c11-8-5-9(12)7-10(6-8)13-3-1-2-4-13/h5-7H,1-4H2.
What are the key properties of 1-(3,5-dichlorophenyl)pyrrolidine?
1-(3,5-dichlorophenyl)pyrrolidine has a molecular weight of 216.11 g/mol, XLogP of 3.59, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dichlorophenyl)pyrrolidine is sourced from PubChem (CID 67936791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).