3-ethoxyazetidine;hydrochloride

C5H12ClNO — CID 22507732

IUPAC3-ethoxyazetidine;hydrochloride
SMILESCCOC1CNC1.Cl
InChIInChI=1S/C5H11NO.ClH/c1-2-7-5-3-6-4-5;/h5-6H,2-4H2,1H3;1H
InChIKeyFZVFBLJKNJAJNI-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.42
Rot. Bonds2

About 3-ethoxyazetidine;hydrochloride

3-ethoxyazetidine;hydrochloride (PubChem CID 22507732) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is 3-ethoxyazetidine;hydrochloride.

Molecular Properties

Compound Name3-ethoxyazetidine;hydrochloride
PubChem CID22507732
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name3-ethoxyazetidine;hydrochloride
SMILESCCOC1CNC1.Cl
InChIInChI=1S/C5H11NO.ClH/c1-2-7-5-3-6-4-5;/h5-6H,2-4H2,1H3;1H
InChIKeyFZVFBLJKNJAJNI-UHFFFAOYSA-N
XLogP0.42
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-Methoxyazetidine
CID 13401996
3-Isopropoxy-Azetidine
CID 51358586
3-(2-Methoxyethoxy)azetidine hydrochloride
CID 17817373
Azetidin-3-yl acetate hydrochloride
CID 21963952
3-Methoxyazetidine hydrochloride
CID 22242858
(2-Methoxypropyl)(methyl)amine hydrochloride
CID 25049826
Methyl[(oxetan-2-yl)methyl]amine
CID 57583195
3-(2,2,2-Trifluoroethoxy)azetidine
CID 62784257
3-(3-Methoxypropoxy)azetidine hydrochloride
CID 67154482
3-(2-Methylpropoxy)azetidine hydrochloride
CID 67154547
3-(Prop-2-yn-1-yloxy)azetidine hydrochloride
CID 71299285
3-(Tert-butoxy)azetidine hydrochloride
CID 71755657

Frequently Asked Questions

What is the IUPAC name of 3-ethoxyazetidine;hydrochloride?
The IUPAC name of 3-ethoxyazetidine;hydrochloride (CID 22507732) is 3-ethoxyazetidine;hydrochloride.
What is the SMILES notation for 3-ethoxyazetidine;hydrochloride?
The canonical SMILES for 3-ethoxyazetidine;hydrochloride is CCOC1CNC1.Cl.
What is the InChIKey of 3-ethoxyazetidine;hydrochloride?
The InChIKey is FZVFBLJKNJAJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c1-2-7-5-3-6-4-5;/h5-6H,2-4H2,1H3;1H.
What are the key properties of 3-ethoxyazetidine;hydrochloride?
3-ethoxyazetidine;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxyazetidine;hydrochloride is sourced from PubChem (CID 22507732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).