3-(methoxymethoxy)-4-methylazetidin-2-one

C6H11NO3 — CID 131993362

IUPAC3-(methoxymethoxy)-4-methylazetidin-2-one
SMILESCOCOC1C(=O)NC1C
InChIInChI=1S/C6H11NO3/c1-4-5(6(8)7-4)10-3-9-2/h4-5H,3H2,1-2H3,(H,7,8)
InChIKeyAEAPJQVZALEDKL-UHFFFAOYSA-N
MW145.16 g/mol
LogP-0.51
Rot. Bonds3

About 3-(methoxymethoxy)-4-methylazetidin-2-one

3-(methoxymethoxy)-4-methylazetidin-2-one (PubChem CID 131993362) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-(methoxymethoxy)-4-methylazetidin-2-one.

Molecular Properties

Compound Name3-(methoxymethoxy)-4-methylazetidin-2-one
PubChem CID131993362
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name3-(methoxymethoxy)-4-methylazetidin-2-one
SMILESCOCOC1C(=O)NC1C
InChIInChI=1S/C6H11NO3/c1-4-5(6(8)7-4)10-3-9-2/h4-5H,3H2,1-2H3,(H,7,8)
InChIKeyAEAPJQVZALEDKL-UHFFFAOYSA-N
XLogP-0.51
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 5-0.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 3-(methoxymethoxy)-4-methylazetidin-2-one?
The IUPAC name of 3-(methoxymethoxy)-4-methylazetidin-2-one (CID 131993362) is 3-(methoxymethoxy)-4-methylazetidin-2-one.
What is the SMILES notation for 3-(methoxymethoxy)-4-methylazetidin-2-one?
The canonical SMILES for 3-(methoxymethoxy)-4-methylazetidin-2-one is COCOC1C(=O)NC1C.
What is the InChIKey of 3-(methoxymethoxy)-4-methylazetidin-2-one?
The InChIKey is AEAPJQVZALEDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c1-4-5(6(8)7-4)10-3-9-2/h4-5H,3H2,1-2H3,(H,7,8).
What are the key properties of 3-(methoxymethoxy)-4-methylazetidin-2-one?
3-(methoxymethoxy)-4-methylazetidin-2-one has a molecular weight of 145.16 g/mol, XLogP of -0.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethoxy)-4-methylazetidin-2-one is sourced from PubChem (CID 131993362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).