3-Methoxy-3-methylazetidine hydrochloride

C5H12ClNO — CID 53346546

IUPAC3-methoxy-3-methylazetidine;hydrochloride
SMILESCC1(CNC1)OC.Cl
InChIInChI=1S/C5H11NO.ClH/c1-5(7-2)3-6-4-5;/h6H,3-4H2,1-2H3;1H
InChIKeyLJJSYRRWFXODEC-UHFFFAOYSA-N
MW137.61 g/mol
LogP—
Rot. Bonds1

About 3-Methoxy-3-methylazetidine hydrochloride

3-Methoxy-3-methylazetidine hydrochloride (PubChem CID 53346546) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is 3-methoxy-3-methylazetidine;hydrochloride.

Molecular Properties

Compound Name3-Methoxy-3-methylazetidine hydrochloride
PubChem CID53346546
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name3-methoxy-3-methylazetidine;hydrochloride
SMILESCC1(CNC1)OC.Cl
InChIInChI=1S/C5H11NO.ClH/c1-5(7-2)3-6-4-5;/h6H,3-4H2,1-2H3;1H
InChIKeyLJJSYRRWFXODEC-UHFFFAOYSA-N
XLogP—
TPSA21.30 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity68

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-Methoxy-3-methylazetidine hydrochloride?
The IUPAC name of 3-Methoxy-3-methylazetidine hydrochloride (CID 53346546) is 3-methoxy-3-methylazetidine;hydrochloride.
What is the SMILES notation for 3-Methoxy-3-methylazetidine hydrochloride?
The canonical SMILES for 3-Methoxy-3-methylazetidine hydrochloride is CC1(CNC1)OC.Cl.
What is the InChIKey of 3-Methoxy-3-methylazetidine hydrochloride?
The InChIKey is LJJSYRRWFXODEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-5(7-2)3-6-4-5;/h6H,3-4H2,1-2H3;1H.
What are the key properties of 3-Methoxy-3-methylazetidine hydrochloride?
3-Methoxy-3-methylazetidine hydrochloride has a molecular weight of 137.61 g/mol, XLogP of not available, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-Methoxy-3-methylazetidine hydrochloride is sourced from PubChem (CID 53346546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).