3-(2-methylbut-2-enoxy)azetidine;hydrochloride

C8H16ClNO — CID 173483116

IUPAC3-(2-methylbut-2-enoxy)azetidine;hydrochloride
SMILESCC=C(C)COC1CNC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-3-7(2)6-10-8-4-9-5-8;/h3,8-9H,4-6H2,1-2H3;1H
InChIKeyBSPMDQITIUTRSO-UHFFFAOYSA-N
MW177.68 g/mol
LogP1.36
Rot. Bonds3

About 3-(2-methylbut-2-enoxy)azetidine;hydrochloride

3-(2-methylbut-2-enoxy)azetidine;hydrochloride (PubChem CID 173483116) has the molecular formula C8H16ClNO and a molecular weight of 177.68 g/mol. Its IUPAC name is 3-(2-methylbut-2-enoxy)azetidine;hydrochloride.

Molecular Properties

Compound Name3-(2-methylbut-2-enoxy)azetidine;hydrochloride
PubChem CID173483116
Molecular FormulaC8H16ClNO
Molecular Weight177.68 g/mol
Exact Mass177.09
IUPAC Name3-(2-methylbut-2-enoxy)azetidine;hydrochloride
SMILESCC=C(C)COC1CNC1.Cl
InChIInChI=1S/C8H15NO.ClH/c1-3-7(2)6-10-8-4-9-5-8;/h3,8-9H,4-6H2,1-2H3;1H
InChIKeyBSPMDQITIUTRSO-UHFFFAOYSA-N
XLogP1.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.68
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 3-(2-methylbut-2-enoxy)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

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylbut-2-enoxy)azetidine;hydrochloride?
The IUPAC name of 3-(2-methylbut-2-enoxy)azetidine;hydrochloride (CID 173483116) is 3-(2-methylbut-2-enoxy)azetidine;hydrochloride.
What is the SMILES notation for 3-(2-methylbut-2-enoxy)azetidine;hydrochloride?
The canonical SMILES for 3-(2-methylbut-2-enoxy)azetidine;hydrochloride is CC=C(C)COC1CNC1.Cl.
What is the InChIKey of 3-(2-methylbut-2-enoxy)azetidine;hydrochloride?
The InChIKey is BSPMDQITIUTRSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO.ClH/c1-3-7(2)6-10-8-4-9-5-8;/h3,8-9H,4-6H2,1-2H3;1H.
What are the key properties of 3-(2-methylbut-2-enoxy)azetidine;hydrochloride?
3-(2-methylbut-2-enoxy)azetidine;hydrochloride has a molecular weight of 177.68 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylbut-2-enoxy)azetidine;hydrochloride is sourced from PubChem (CID 173483116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).