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

C8H16ClNO — CID 137499388

IUPAC3-(oxan-2-yl)azetidine;hydrochloride
SMILESC1CCC(C2CNC2)OC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-2-4-10-8(3-1)7-5-9-6-7;/h7-9H,1-6H2;1H
InChIKeySKVGZQBQEUGNCT-UHFFFAOYSA-N
MW177.67 g/mol
LogP1.20
Rot. Bonds1

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

3-(oxan-2-yl)azetidine;hydrochloride (PubChem CID 137499388) has the molecular formula C8H16ClNO and a molecular weight of 177.67 g/mol. Its IUPAC name is 3-(oxan-2-yl)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(oxan-2-yl)azetidine;hydrochloride
PubChem CID137499388
Molecular FormulaC8H16ClNO
Molecular Weight177.67 g/mol
Exact Mass177.09
IUPAC Name3-(oxan-2-yl)azetidine;hydrochloride
SMILESC1CCC(C2CNC2)OC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-2-4-10-8(3-1)7-5-9-6-7;/h7-9H,1-6H2;1H
InChIKeySKVGZQBQEUGNCT-UHFFFAOYSA-N
XLogP1.20
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.67
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(oxan-2-yl)azetidine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 126845723
CID 126845723
CID 122239846
CID 122239846
CID 129531987
CID 129531987
CID 129531988
CID 129531988
CID 131081698
CID 131081698
CID 90947414
CID 90947414
CID 138580414
CID 138580414
CID 142825143
CID 142825143
CID 148313691
CID 148313691
CID 170727597
CID 170727597
CID 170728258
CID 170728258
CID 178478803
CID 178478803

Frequently Asked Questions

What is the IUPAC name of 3-(oxan-2-yl)azetidine;hydrochloride?
The IUPAC name of 3-(oxan-2-yl)azetidine;hydrochloride (CID 137499388) is 3-(oxan-2-yl)azetidine;hydrochloride.
What is the SMILES notation for 3-(oxan-2-yl)azetidine;hydrochloride?
The canonical SMILES for 3-(oxan-2-yl)azetidine;hydrochloride is C1CCC(C2CNC2)OC1.Cl.
What is the InChIKey of 3-(oxan-2-yl)azetidine;hydrochloride?
The InChIKey is SKVGZQBQEUGNCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-2-4-10-8(3-1)7-5-9-6-7;/h7-9H,1-6H2;1H.
What are the key properties of 3-(oxan-2-yl)azetidine;hydrochloride?
3-(oxan-2-yl)azetidine;hydrochloride has a molecular weight of 177.67 g/mol, XLogP of 1.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxan-2-yl)azetidine;hydrochloride is sourced from PubChem (CID 137499388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).