3-(2-methoxyethoxy)pyrrolidine;hydrochloride

C7H16ClNO2 — CID 53413900

IUPAC3-(2-methoxyethoxy)pyrrolidine;hydrochloride
SMILESCOCCOC1CCNC1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-9-4-5-10-7-2-3-8-6-7;/h7-8H,2-6H2,1H3;1H
InChIKeyIFUHVDRUKDZVLL-UHFFFAOYSA-N
MW181.66 g/mol
LogP0.43
Rot. Bonds4

About 3-(2-methoxyethoxy)pyrrolidine;hydrochloride

3-(2-methoxyethoxy)pyrrolidine;hydrochloride (PubChem CID 53413900) has the molecular formula C7H16ClNO2 and a molecular weight of 181.66 g/mol. Its IUPAC name is 3-(2-methoxyethoxy)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name3-(2-methoxyethoxy)pyrrolidine;hydrochloride
PubChem CID53413900
Molecular FormulaC7H16ClNO2
Molecular Weight181.66 g/mol
Exact Mass181.09
IUPAC Name3-(2-methoxyethoxy)pyrrolidine;hydrochloride
SMILESCOCCOC1CCNC1.Cl
InChIInChI=1S/C7H15NO2.ClH/c1-9-4-5-10-7-2-3-8-6-7;/h7-8H,2-6H2,1H3;1H
InChIKeyIFUHVDRUKDZVLL-UHFFFAOYSA-N
XLogP0.43
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.66
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethoxy)pyrrolidine;hydrochloride?
The IUPAC name of 3-(2-methoxyethoxy)pyrrolidine;hydrochloride (CID 53413900) is 3-(2-methoxyethoxy)pyrrolidine;hydrochloride.
What is the SMILES notation for 3-(2-methoxyethoxy)pyrrolidine;hydrochloride?
The canonical SMILES for 3-(2-methoxyethoxy)pyrrolidine;hydrochloride is COCCOC1CCNC1.Cl.
What is the InChIKey of 3-(2-methoxyethoxy)pyrrolidine;hydrochloride?
The InChIKey is IFUHVDRUKDZVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO2.ClH/c1-9-4-5-10-7-2-3-8-6-7;/h7-8H,2-6H2,1H3;1H.
What are the key properties of 3-(2-methoxyethoxy)pyrrolidine;hydrochloride?
3-(2-methoxyethoxy)pyrrolidine;hydrochloride has a molecular weight of 181.66 g/mol, XLogP of 0.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethoxy)pyrrolidine;hydrochloride is sourced from PubChem (CID 53413900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).