4-[2-(2-methoxyethoxy)ethoxy]pyrrolidin-3-ol

C9H19NO4 — CID 104562058

IUPAC4-[2-(2-methoxyethoxy)ethoxy]pyrrolidin-3-ol
SMILESCOCCOCCOC1CNCC1O
InChIInChI=1S/C9H19NO4/c1-12-2-3-13-4-5-14-9-7-10-6-8(9)11/h8-11H,2-7H2,1H3
InChIKeyRHEYRMKKDWDSIK-UHFFFAOYSA-N
MW205.25 g/mol
LogP-1.00
Rot. Bonds7

About 4-[2-(2-methoxyethoxy)ethoxy]pyrrolidin-3-ol

4-[2-(2-methoxyethoxy)ethoxy]pyrrolidin-3-ol (PubChem CID 104562058) has the molecular formula C9H19NO4 and a molecular weight of 205.25 g/mol. Its IUPAC name is 4-[2-(2-methoxyethoxy)ethoxy]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[2-(2-methoxyethoxy)ethoxy]pyrrolidin-3-ol
PubChem CID104562058
Molecular FormulaC9H19NO4
Molecular Weight205.25 g/mol
Exact Mass205.13
IUPAC Name4-[2-(2-methoxyethoxy)ethoxy]pyrrolidin-3-ol
SMILESCOCCOCCOC1CNCC1O
InChIInChI=1S/C9H19NO4/c1-12-2-3-13-4-5-14-9-7-10-6-8(9)11/h8-11H,2-7H2,1H3
InChIKeyRHEYRMKKDWDSIK-UHFFFAOYSA-N
XLogP-1.00
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.25
LogP ≤ 5-1.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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 4-[2-(2-methoxyethoxy)ethoxy]pyrrolidin-3-ol?
The IUPAC name of 4-[2-(2-methoxyethoxy)ethoxy]pyrrolidin-3-ol (CID 104562058) is 4-[2-(2-methoxyethoxy)ethoxy]pyrrolidin-3-ol.
What is the SMILES notation for 4-[2-(2-methoxyethoxy)ethoxy]pyrrolidin-3-ol?
The canonical SMILES for 4-[2-(2-methoxyethoxy)ethoxy]pyrrolidin-3-ol is COCCOCCOC1CNCC1O.
What is the InChIKey of 4-[2-(2-methoxyethoxy)ethoxy]pyrrolidin-3-ol?
The InChIKey is RHEYRMKKDWDSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19NO4/c1-12-2-3-13-4-5-14-9-7-10-6-8(9)11/h8-11H,2-7H2,1H3.
What are the key properties of 4-[2-(2-methoxyethoxy)ethoxy]pyrrolidin-3-ol?
4-[2-(2-methoxyethoxy)ethoxy]pyrrolidin-3-ol has a molecular weight of 205.25 g/mol, XLogP of -1.00, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2-methoxyethoxy)ethoxy]pyrrolidin-3-ol is sourced from PubChem (CID 104562058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).