1-[3-(3,4-dichlorophenoxy)propyl]pyrrolidine;oxalic acid

C15H19Cl2NO5 — CID 2922343

IUPAC1-[3-(3,4-dichlorophenoxy)propyl]pyrrolidine;oxalic acid
SMILESClc1ccc(OCCCN2CCCC2)cc1Cl.O=C(O)C(=O)O
InChIInChI=1S/C13H17Cl2NO.C2H2O4/c14-12-5-4-11(10-13(12)15)17-9-3-8-16-6-1-2-7-16;3-1(4)2(5)6/h4-5,10H,1-3,6-9H2;(H,3,4)(H,5,6)
InChIKeyZVASVRCRIFPNLA-UHFFFAOYSA-N
MW364.23 g/mol
LogP3.01
Rot. Bonds5

About 1-[3-(3,4-dichlorophenoxy)propyl]pyrrolidine;oxalic acid

1-[3-(3,4-dichlorophenoxy)propyl]pyrrolidine;oxalic acid (PubChem CID 2922343) has the molecular formula C15H19Cl2NO5 and a molecular weight of 364.23 g/mol. Its IUPAC name is 1-[3-(3,4-dichlorophenoxy)propyl]pyrrolidine;oxalic acid.

Molecular Properties

Compound Name1-[3-(3,4-dichlorophenoxy)propyl]pyrrolidine;oxalic acid
PubChem CID2922343
Molecular FormulaC15H19Cl2NO5
Molecular Weight364.23 g/mol
Exact Mass363.06
IUPAC Name1-[3-(3,4-dichlorophenoxy)propyl]pyrrolidine;oxalic acid
SMILESClc1ccc(OCCCN2CCCC2)cc1Cl.O=C(O)C(=O)O
InChIInChI=1S/C13H17Cl2NO.C2H2O4/c14-12-5-4-11(10-13(12)15)17-9-3-8-16-6-1-2-7-16;3-1(4)2(5)6/h4-5,10H,1-3,6-9H2;(H,3,4)(H,5,6)
InChIKeyZVASVRCRIFPNLA-UHFFFAOYSA-N
XLogP3.01
TPSA87.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.23
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(3,4-dichlorophenoxy)propyl]pyrrolidine;oxalic acid?
The IUPAC name of 1-[3-(3,4-dichlorophenoxy)propyl]pyrrolidine;oxalic acid (CID 2922343) is 1-[3-(3,4-dichlorophenoxy)propyl]pyrrolidine;oxalic acid.
What is the SMILES notation for 1-[3-(3,4-dichlorophenoxy)propyl]pyrrolidine;oxalic acid?
The canonical SMILES for 1-[3-(3,4-dichlorophenoxy)propyl]pyrrolidine;oxalic acid is Clc1ccc(OCCCN2CCCC2)cc1Cl.O=C(O)C(=O)O.
What is the InChIKey of 1-[3-(3,4-dichlorophenoxy)propyl]pyrrolidine;oxalic acid?
The InChIKey is ZVASVRCRIFPNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2NO.C2H2O4/c14-12-5-4-11(10-13(12)15)17-9-3-8-16-6-1-2-7-16;3-1(4)2(5)6/h4-5,10H,1-3,6-9H2;(H,3,4)(H,5,6).
What are the key properties of 1-[3-(3,4-dichlorophenoxy)propyl]pyrrolidine;oxalic acid?
1-[3-(3,4-dichlorophenoxy)propyl]pyrrolidine;oxalic acid has a molecular weight of 364.23 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(3,4-dichlorophenoxy)propyl]pyrrolidine;oxalic acid is sourced from PubChem (CID 2922343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).