2-(azetidin-3-yl)ethanol;hydrochloride

C5H12ClNO — CID 55288038

IUPAC2-(azetidin-3-yl)ethanol;hydrochloride
SMILESCl.OCCC1CNC1
InChIInChI=1S/C5H11NO.ClH/c7-2-1-5-3-6-4-5;/h5-7H,1-4H2;1H
InChIKeyMGZPJLQAJVHPJH-UHFFFAOYSA-N
MW137.61 g/mol
LogP0.01
Rot. Bonds2

About 2-(azetidin-3-yl)ethanol;hydrochloride

2-(azetidin-3-yl)ethanol;hydrochloride (PubChem CID 55288038) has the molecular formula C5H12ClNO and a molecular weight of 137.61 g/mol. Its IUPAC name is 2-(azetidin-3-yl)ethanol;hydrochloride.

Molecular Properties

Compound Name2-(azetidin-3-yl)ethanol;hydrochloride
PubChem CID55288038
Molecular FormulaC5H12ClNO
Molecular Weight137.61 g/mol
Exact Mass137.06
IUPAC Name2-(azetidin-3-yl)ethanol;hydrochloride
SMILESCl.OCCC1CNC1
InChIInChI=1S/C5H11NO.ClH/c7-2-1-5-3-6-4-5;/h5-7H,1-4H2;1H
InChIKeyMGZPJLQAJVHPJH-UHFFFAOYSA-N
XLogP0.01
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.61
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)ethanol;hydrochloride?
The IUPAC name of 2-(azetidin-3-yl)ethanol;hydrochloride (CID 55288038) is 2-(azetidin-3-yl)ethanol;hydrochloride.
What is the SMILES notation for 2-(azetidin-3-yl)ethanol;hydrochloride?
The canonical SMILES for 2-(azetidin-3-yl)ethanol;hydrochloride is Cl.OCCC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)ethanol;hydrochloride?
The InChIKey is MGZPJLQAJVHPJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO.ClH/c7-2-1-5-3-6-4-5;/h5-7H,1-4H2;1H.
What are the key properties of 2-(azetidin-3-yl)ethanol;hydrochloride?
2-(azetidin-3-yl)ethanol;hydrochloride has a molecular weight of 137.61 g/mol, XLogP of 0.01, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)ethanol;hydrochloride is sourced from PubChem (CID 55288038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).