3-methoxy-3-(methoxymethyl)azetidine;hydrochloride

C6H14ClNO2 — CID 170914539

IUPAC3-methoxy-3-(methoxymethyl)azetidine;hydrochloride
SMILESCOCC1(OC)CNC1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-8-5-6(9-2)3-7-4-6;/h7H,3-5H2,1-2H3;1H
InChIKeyNGWARXLTOGLVHZ-UHFFFAOYSA-N
MW167.64 g/mol
LogP0.04
Rot. Bonds3

About 3-methoxy-3-(methoxymethyl)azetidine;hydrochloride

3-methoxy-3-(methoxymethyl)azetidine;hydrochloride (PubChem CID 170914539) has the molecular formula C6H14ClNO2 and a molecular weight of 167.64 g/mol. Its IUPAC name is 3-methoxy-3-(methoxymethyl)azetidine;hydrochloride.

Molecular Properties

Compound Name3-methoxy-3-(methoxymethyl)azetidine;hydrochloride
PubChem CID170914539
Molecular FormulaC6H14ClNO2
Molecular Weight167.64 g/mol
Exact Mass167.07
IUPAC Name3-methoxy-3-(methoxymethyl)azetidine;hydrochloride
SMILESCOCC1(OC)CNC1.Cl
InChIInChI=1S/C6H13NO2.ClH/c1-8-5-6(9-2)3-7-4-6;/h7H,3-5H2,1-2H3;1H
InChIKeyNGWARXLTOGLVHZ-UHFFFAOYSA-N
XLogP0.04
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.64
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-3-(methoxymethyl)azetidine;hydrochloride?
The IUPAC name of 3-methoxy-3-(methoxymethyl)azetidine;hydrochloride (CID 170914539) is 3-methoxy-3-(methoxymethyl)azetidine;hydrochloride.
What is the SMILES notation for 3-methoxy-3-(methoxymethyl)azetidine;hydrochloride?
The canonical SMILES for 3-methoxy-3-(methoxymethyl)azetidine;hydrochloride is COCC1(OC)CNC1.Cl.
What is the InChIKey of 3-methoxy-3-(methoxymethyl)azetidine;hydrochloride?
The InChIKey is NGWARXLTOGLVHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13NO2.ClH/c1-8-5-6(9-2)3-7-4-6;/h7H,3-5H2,1-2H3;1H.
What are the key properties of 3-methoxy-3-(methoxymethyl)azetidine;hydrochloride?
3-methoxy-3-(methoxymethyl)azetidine;hydrochloride has a molecular weight of 167.64 g/mol, XLogP of 0.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-3-(methoxymethyl)azetidine;hydrochloride is sourced from PubChem (CID 170914539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).