2-(3,3-dimethoxyazetidin-1-yl)ethanol

C7H15NO3 — CID 104549015

IUPAC2-(3,3-dimethoxyazetidin-1-yl)ethanol
SMILESCOC1(OC)CN(CCO)C1
InChIInChI=1S/C7H15NO3/c1-10-7(11-2)5-8(6-7)3-4-9/h9H,3-6H2,1-2H3
InChIKeyJPRWGETYEOPLRM-UHFFFAOYSA-N
MW161.20 g/mol
LogP-0.72
Rot. Bonds4

About 2-(3,3-dimethoxyazetidin-1-yl)ethanol

2-(3,3-dimethoxyazetidin-1-yl)ethanol (PubChem CID 104549015) has the molecular formula C7H15NO3 and a molecular weight of 161.20 g/mol. Its IUPAC name is 2-(3,3-dimethoxyazetidin-1-yl)ethanol.

Molecular Properties

Compound Name2-(3,3-dimethoxyazetidin-1-yl)ethanol
PubChem CID104549015
Molecular FormulaC7H15NO3
Molecular Weight161.20 g/mol
Exact Mass161.11
IUPAC Name2-(3,3-dimethoxyazetidin-1-yl)ethanol
SMILESCOC1(OC)CN(CCO)C1
InChIInChI=1S/C7H15NO3/c1-10-7(11-2)5-8(6-7)3-4-9/h9H,3-6H2,1-2H3
InChIKeyJPRWGETYEOPLRM-UHFFFAOYSA-N
XLogP-0.72
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.20
LogP ≤ 5-0.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethoxyazetidin-1-yl)ethanol?
The IUPAC name of 2-(3,3-dimethoxyazetidin-1-yl)ethanol (CID 104549015) is 2-(3,3-dimethoxyazetidin-1-yl)ethanol.
What is the SMILES notation for 2-(3,3-dimethoxyazetidin-1-yl)ethanol?
The canonical SMILES for 2-(3,3-dimethoxyazetidin-1-yl)ethanol is COC1(OC)CN(CCO)C1.
What is the InChIKey of 2-(3,3-dimethoxyazetidin-1-yl)ethanol?
The InChIKey is JPRWGETYEOPLRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H15NO3/c1-10-7(11-2)5-8(6-7)3-4-9/h9H,3-6H2,1-2H3.
What are the key properties of 2-(3,3-dimethoxyazetidin-1-yl)ethanol?
2-(3,3-dimethoxyazetidin-1-yl)ethanol has a molecular weight of 161.20 g/mol, XLogP of -0.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethoxyazetidin-1-yl)ethanol is sourced from PubChem (CID 104549015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).