3-methoxyazetidin-1-ium chloride

C4H10ClNO — CID 129080883

IUPAC3-methoxyazetidin-1-ium chloride
SMILESCOC1C[NH2+]C1.[Cl-]
InChIInChI=1S/C4H9NO.ClH/c1-6-4-2-5-3-4;/h4-5H,2-3H2,1H3;1H
InChIKeyKSXGQRBTBLQJEF-UHFFFAOYSA-N
MW123.58 g/mol
LogP-4.42
Rot. Bonds1

About 3-methoxyazetidin-1-ium chloride

3-methoxyazetidin-1-ium chloride (PubChem CID 129080883) has the molecular formula C4H10ClNO and a molecular weight of 123.58 g/mol. Its IUPAC name is 3-methoxyazetidin-1-ium chloride.

Molecular Properties

Compound Name3-methoxyazetidin-1-ium chloride
PubChem CID129080883
Molecular FormulaC4H10ClNO
Molecular Weight123.58 g/mol
Exact Mass123.05
IUPAC Name3-methoxyazetidin-1-ium chloride
SMILESCOC1C[NH2+]C1.[Cl-]
InChIInChI=1S/C4H9NO.ClH/c1-6-4-2-5-3-4;/h4-5H,2-3H2,1H3;1H
InChIKeyKSXGQRBTBLQJEF-UHFFFAOYSA-N
XLogP-4.42
TPSA25.84 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.58
LogP ≤ 5-4.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-methoxyazetidin-1-ium chloride 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-methoxyazetidin-1-ium chloride?
The IUPAC name of 3-methoxyazetidin-1-ium chloride (CID 129080883) is 3-methoxyazetidin-1-ium chloride.
What is the SMILES notation for 3-methoxyazetidin-1-ium chloride?
The canonical SMILES for 3-methoxyazetidin-1-ium chloride is COC1C[NH2+]C1.[Cl-].
What is the InChIKey of 3-methoxyazetidin-1-ium chloride?
The InChIKey is KSXGQRBTBLQJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO.ClH/c1-6-4-2-5-3-4;/h4-5H,2-3H2,1H3;1H.
What are the key properties of 3-methoxyazetidin-1-ium chloride?
3-methoxyazetidin-1-ium chloride has a molecular weight of 123.58 g/mol, XLogP of -4.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxyazetidin-1-ium chloride is sourced from PubChem (CID 129080883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).