3-methylazetidine;hydrochloride

C4H10ClN — CID 25159188

IUPAC3-methylazetidine;hydrochloride
SMILESCC1CNC1.Cl
InChIInChI=1S/C4H9N.ClH/c1-4-2-5-3-4;/h4-5H,2-3H2,1H3;1H
InChIKeyMOKDGIBBFJAJOB-UHFFFAOYSA-N
MW107.58 g/mol
LogP0.65
Rot. Bonds

About 3-methylazetidine;hydrochloride

3-methylazetidine;hydrochloride (PubChem CID 25159188) has the molecular formula C4H10ClN and a molecular weight of 107.58 g/mol. Its IUPAC name is 3-methylazetidine;hydrochloride.

Molecular Properties

Compound Name3-methylazetidine;hydrochloride
PubChem CID25159188
Molecular FormulaC4H10ClN
Molecular Weight107.58 g/mol
Exact Mass107.05
IUPAC Name3-methylazetidine;hydrochloride
SMILESCC1CNC1.Cl
InChIInChI=1S/C4H9N.ClH/c1-4-2-5-3-4;/h4-5H,2-3H2,1H3;1H
InChIKeyMOKDGIBBFJAJOB-UHFFFAOYSA-N
XLogP0.65
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.58
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methylazetidine;hydrochloride?
The IUPAC name of 3-methylazetidine;hydrochloride (CID 25159188) is 3-methylazetidine;hydrochloride.
What is the SMILES notation for 3-methylazetidine;hydrochloride?
The canonical SMILES for 3-methylazetidine;hydrochloride is CC1CNC1.Cl.
What is the InChIKey of 3-methylazetidine;hydrochloride?
The InChIKey is MOKDGIBBFJAJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N.ClH/c1-4-2-5-3-4;/h4-5H,2-3H2,1H3;1H.
What are the key properties of 3-methylazetidine;hydrochloride?
3-methylazetidine;hydrochloride has a molecular weight of 107.58 g/mol, XLogP of 0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylazetidine;hydrochloride is sourced from PubChem (CID 25159188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).