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

C10H21NO4 — CID 103402664

IUPAC4-[3-(2-methoxyethoxy)propoxy]pyrrolidin-3-ol
SMILESCOCCOCCCOC1CNCC1O
InChIInChI=1S/C10H21NO4/c1-13-5-6-14-3-2-4-15-10-8-11-7-9(10)12/h9-12H,2-8H2,1H3
InChIKeyIJIQRBFCJXBVPM-UHFFFAOYSA-N
MW219.28 g/mol
LogP-0.61
Rot. Bonds8

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

4-[3-(2-methoxyethoxy)propoxy]pyrrolidin-3-ol (PubChem CID 103402664) has the molecular formula C10H21NO4 and a molecular weight of 219.28 g/mol. Its IUPAC name is 4-[3-(2-methoxyethoxy)propoxy]pyrrolidin-3-ol.

Molecular Properties

Compound Name4-[3-(2-methoxyethoxy)propoxy]pyrrolidin-3-ol
PubChem CID103402664
Molecular FormulaC10H21NO4
Molecular Weight219.28 g/mol
Exact Mass219.15
IUPAC Name4-[3-(2-methoxyethoxy)propoxy]pyrrolidin-3-ol
SMILESCOCCOCCCOC1CNCC1O
InChIInChI=1S/C10H21NO4/c1-13-5-6-14-3-2-4-15-10-8-11-7-9(10)12/h9-12H,2-8H2,1H3
InChIKeyIJIQRBFCJXBVPM-UHFFFAOYSA-N
XLogP-0.61
TPSA59.95 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 5-0.61
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-[3-(2-methoxyethoxy)propoxy]pyrrolidin-3-ol?
The IUPAC name of 4-[3-(2-methoxyethoxy)propoxy]pyrrolidin-3-ol (CID 103402664) is 4-[3-(2-methoxyethoxy)propoxy]pyrrolidin-3-ol.
What is the SMILES notation for 4-[3-(2-methoxyethoxy)propoxy]pyrrolidin-3-ol?
The canonical SMILES for 4-[3-(2-methoxyethoxy)propoxy]pyrrolidin-3-ol is COCCOCCCOC1CNCC1O.
What is the InChIKey of 4-[3-(2-methoxyethoxy)propoxy]pyrrolidin-3-ol?
The InChIKey is IJIQRBFCJXBVPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21NO4/c1-13-5-6-14-3-2-4-15-10-8-11-7-9(10)12/h9-12H,2-8H2,1H3.
What are the key properties of 4-[3-(2-methoxyethoxy)propoxy]pyrrolidin-3-ol?
4-[3-(2-methoxyethoxy)propoxy]pyrrolidin-3-ol has a molecular weight of 219.28 g/mol, XLogP of -0.61, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-methoxyethoxy)propoxy]pyrrolidin-3-ol is sourced from PubChem (CID 103402664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).