3-(oxan-4-ylmethyl)azetidine;hydrochloride

C9H18ClNO — CID 126845723

IUPAC3-(oxan-4-ylmethyl)azetidine;hydrochloride
SMILESC1CC(CC2CNC2)CCO1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-3-11-4-2-8(1)5-9-6-10-7-9;/h8-10H,1-7H2;1H
InChIKeyOIWKWMDSXFZZIJ-UHFFFAOYSA-N
MW191.70 g/mol
LogP1.44
Rot. Bonds2

About 3-(oxan-4-ylmethyl)azetidine;hydrochloride

3-(oxan-4-ylmethyl)azetidine;hydrochloride (PubChem CID 126845723) has the molecular formula C9H18ClNO and a molecular weight of 191.70 g/mol. Its IUPAC name is 3-(oxan-4-ylmethyl)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(oxan-4-ylmethyl)azetidine;hydrochloride
PubChem CID126845723
Molecular FormulaC9H18ClNO
Molecular Weight191.70 g/mol
Exact Mass191.11
IUPAC Name3-(oxan-4-ylmethyl)azetidine;hydrochloride
SMILESC1CC(CC2CNC2)CCO1.Cl
InChIInChI=1S/C9H17NO.ClH/c1-3-11-4-2-8(1)5-9-6-10-7-9;/h8-10H,1-7H2;1H
InChIKeyOIWKWMDSXFZZIJ-UHFFFAOYSA-N
XLogP1.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.70
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(oxan-4-ylmethyl)azetidine;hydrochloride?
The IUPAC name of 3-(oxan-4-ylmethyl)azetidine;hydrochloride (CID 126845723) is 3-(oxan-4-ylmethyl)azetidine;hydrochloride.
What is the SMILES notation for 3-(oxan-4-ylmethyl)azetidine;hydrochloride?
The canonical SMILES for 3-(oxan-4-ylmethyl)azetidine;hydrochloride is C1CC(CC2CNC2)CCO1.Cl.
What is the InChIKey of 3-(oxan-4-ylmethyl)azetidine;hydrochloride?
The InChIKey is OIWKWMDSXFZZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO.ClH/c1-3-11-4-2-8(1)5-9-6-10-7-9;/h8-10H,1-7H2;1H.
What are the key properties of 3-(oxan-4-ylmethyl)azetidine;hydrochloride?
3-(oxan-4-ylmethyl)azetidine;hydrochloride has a molecular weight of 191.70 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-4-ylmethyl)azetidine;hydrochloride is sourced from PubChem (CID 126845723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).