3-(2-propoxyethoxy)azetidine

C8H17NO2 — CID 53409249

IUPAC3-(2-propoxyethoxy)azetidine
SMILESCCCOCCOC1CNC1
InChIInChI=1S/C8H17NO2/c1-2-3-10-4-5-11-8-6-9-7-8/h8-9H,2-7H2,1H3
InChIKeyIMVZGRGQSYMGGB-UHFFFAOYSA-N
MW159.23 g/mol
LogP0.40
Rot. Bonds6

About 3-(2-propoxyethoxy)azetidine

3-(2-propoxyethoxy)azetidine (PubChem CID 53409249) has the molecular formula C8H17NO2 and a molecular weight of 159.23 g/mol. Its IUPAC name is 3-(2-propoxyethoxy)azetidine.

Molecular Properties

Compound Name3-(2-propoxyethoxy)azetidine
PubChem CID53409249
Molecular FormulaC8H17NO2
Molecular Weight159.23 g/mol
Exact Mass159.13
IUPAC Name3-(2-propoxyethoxy)azetidine
SMILESCCCOCCOC1CNC1
InChIInChI=1S/C8H17NO2/c1-2-3-10-4-5-11-8-6-9-7-8/h8-9H,2-7H2,1H3
InChIKeyIMVZGRGQSYMGGB-UHFFFAOYSA-N
XLogP0.40
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.23
LogP ≤ 50.40
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-propoxyethoxy)azetidine?
The IUPAC name of 3-(2-propoxyethoxy)azetidine (CID 53409249) is 3-(2-propoxyethoxy)azetidine.
What is the SMILES notation for 3-(2-propoxyethoxy)azetidine?
The canonical SMILES for 3-(2-propoxyethoxy)azetidine is CCCOCCOC1CNC1.
What is the InChIKey of 3-(2-propoxyethoxy)azetidine?
The InChIKey is IMVZGRGQSYMGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17NO2/c1-2-3-10-4-5-11-8-6-9-7-8/h8-9H,2-7H2,1H3.
What are the key properties of 3-(2-propoxyethoxy)azetidine?
3-(2-propoxyethoxy)azetidine has a molecular weight of 159.23 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propoxyethoxy)azetidine is sourced from PubChem (CID 53409249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).