3-(oxolan-2-yl)azetidine;hydrochloride

C7H14ClNO — CID 167724120

IUPAC3-(oxolan-2-yl)azetidine;hydrochloride
SMILESC1COC(C2CNC2)C1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-2-7(9-3-1)6-4-8-5-6;/h6-8H,1-5H2;1H
InChIKeyWYHZPZNCOBTXCA-UHFFFAOYSA-N
MW163.65 g/mol
LogP0.81
Rot. Bonds1

About 3-(oxolan-2-yl)azetidine;hydrochloride

3-(oxolan-2-yl)azetidine;hydrochloride (PubChem CID 167724120) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 3-(oxolan-2-yl)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(oxolan-2-yl)azetidine;hydrochloride
PubChem CID167724120
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name3-(oxolan-2-yl)azetidine;hydrochloride
SMILESC1COC(C2CNC2)C1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-2-7(9-3-1)6-4-8-5-6;/h6-8H,1-5H2;1H
InChIKeyWYHZPZNCOBTXCA-UHFFFAOYSA-N
XLogP0.81
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-2-yl)azetidine;hydrochloride?
The IUPAC name of 3-(oxolan-2-yl)azetidine;hydrochloride (CID 167724120) is 3-(oxolan-2-yl)azetidine;hydrochloride.
What is the SMILES notation for 3-(oxolan-2-yl)azetidine;hydrochloride?
The canonical SMILES for 3-(oxolan-2-yl)azetidine;hydrochloride is C1COC(C2CNC2)C1.Cl.
What is the InChIKey of 3-(oxolan-2-yl)azetidine;hydrochloride?
The InChIKey is WYHZPZNCOBTXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-2-7(9-3-1)6-4-8-5-6;/h6-8H,1-5H2;1H.
What are the key properties of 3-(oxolan-2-yl)azetidine;hydrochloride?
3-(oxolan-2-yl)azetidine;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-2-yl)azetidine;hydrochloride is sourced from PubChem (CID 167724120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).