1-(3-methoxypropoxy)pyrrolidine

C8H17NO2 — CID 140972453

IUPAC1-(3-methoxypropoxy)pyrrolidine
SMILESCOCCCON1CCCC1
InChIInChI=1S/C8H17NO2/c1-10-7-4-8-11-9-5-2-3-6-9/h2-8H2,1H3
InChIKeyZEJSFMIMNFCXLM-UHFFFAOYSA-N
MW159.23 g/mol
LogP1.05
Rot. Bonds5

About 1-(3-methoxypropoxy)pyrrolidine

1-(3-methoxypropoxy)pyrrolidine (PubChem CID 140972453) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 1-(3-methoxypropoxy)pyrrolidine.

Molecular Properties

Compound Name1-(3-methoxypropoxy)pyrrolidine
PubChem CID140972453
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name1-(3-methoxypropoxy)pyrrolidine
SMILESCOCCCON1CCCC1
InChIInChI=1S/C8H17NO2/c1-10-7-4-8-11-9-5-2-3-6-9/h2-8H2,1H3
InChIKeyZEJSFMIMNFCXLM-UHFFFAOYSA-N
XLogP1.05
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 51.05
H-Bond Donors ≤ 50
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 1-(3-methoxypropoxy)pyrrolidine?
The IUPAC name of 1-(3-methoxypropoxy)pyrrolidine (CID 140972453) is 1-(3-methoxypropoxy)pyrrolidine.
What is the SMILES notation for 1-(3-methoxypropoxy)pyrrolidine?
The canonical SMILES for 1-(3-methoxypropoxy)pyrrolidine is COCCCON1CCCC1.
What is the InChIKey of 1-(3-methoxypropoxy)pyrrolidine?
The InChIKey is ZEJSFMIMNFCXLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-10-7-4-8-11-9-5-2-3-6-9/h2-8H2,1H3.
What are the key properties of 1-(3-methoxypropoxy)pyrrolidine?
1-(3-methoxypropoxy)pyrrolidine has a molecular weight of 159.23 g/mol, XLogP of 1.05, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxypropoxy)pyrrolidine is sourced from PubChem (CID 140972453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).