3-[2-(oxan-4-yl)ethyl]azetidine;hydrochloride

C10H20ClNO — CID 126845734

IUPAC3-[2-(oxan-4-yl)ethyl]azetidine;hydrochloride
SMILESC1CC(CCC2CNC2)CCO1.Cl
InChIInChI=1S/C10H19NO.ClH/c1(2-10-7-11-8-10)9-3-5-12-6-4-9;/h9-11H,1-8H2;1H
InChIKeyHAGQUGXWSFCVIA-UHFFFAOYSA-N
MW205.73 g/mol
LogP1.83
Rot. Bonds3

About 3-[2-(oxan-4-yl)ethyl]azetidine;hydrochloride

3-[2-(oxan-4-yl)ethyl]azetidine;hydrochloride (PubChem CID 126845734) has the molecular formula C10H20ClNO and a molecular weight of 205.73 g/mol. Its IUPAC name is 3-[2-(oxan-4-yl)ethyl]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[2-(oxan-4-yl)ethyl]azetidine;hydrochloride
PubChem CID126845734
Molecular FormulaC10H20ClNO
Molecular Weight205.73 g/mol
Exact Mass205.12
IUPAC Name3-[2-(oxan-4-yl)ethyl]azetidine;hydrochloride
SMILESC1CC(CCC2CNC2)CCO1.Cl
InChIInChI=1S/C10H19NO.ClH/c1(2-10-7-11-8-10)9-3-5-12-6-4-9;/h9-11H,1-8H2;1H
InChIKeyHAGQUGXWSFCVIA-UHFFFAOYSA-N
XLogP1.83
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.73
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(oxan-4-yl)ethyl]azetidine;hydrochloride?
The IUPAC name of 3-[2-(oxan-4-yl)ethyl]azetidine;hydrochloride (CID 126845734) is 3-[2-(oxan-4-yl)ethyl]azetidine;hydrochloride.
What is the SMILES notation for 3-[2-(oxan-4-yl)ethyl]azetidine;hydrochloride?
The canonical SMILES for 3-[2-(oxan-4-yl)ethyl]azetidine;hydrochloride is C1CC(CCC2CNC2)CCO1.Cl.
What is the InChIKey of 3-[2-(oxan-4-yl)ethyl]azetidine;hydrochloride?
The InChIKey is HAGQUGXWSFCVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO.ClH/c1(2-10-7-11-8-10)9-3-5-12-6-4-9;/h9-11H,1-8H2;1H.
What are the key properties of 3-[2-(oxan-4-yl)ethyl]azetidine;hydrochloride?
3-[2-(oxan-4-yl)ethyl]azetidine;hydrochloride has a molecular weight of 205.73 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(oxan-4-yl)ethyl]azetidine;hydrochloride is sourced from PubChem (CID 126845734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).