3-bromo-1-methylazetidine

C4H8BrN — CID 164545813

IUPAC3-bromo-1-methylazetidine
SMILESCN1CC(Br)C1
InChIInChI=1S/C4H8BrN/c1-6-2-4(5)3-6/h4H,2-3H2,1H3
InChIKeyVCZOCZGKKAIKIJ-UHFFFAOYSA-N
MW150.02 g/mol
LogP0.70
Rot. Bonds

About 3-bromo-1-methylazetidine

3-bromo-1-methylazetidine (PubChem CID 164545813) has the molecular formula C4H8BrN and a molecular weight of 150.02 g/mol. Its IUPAC name is 3-bromo-1-methylazetidine.

Molecular Properties

Compound Name3-bromo-1-methylazetidine
PubChem CID164545813
Molecular FormulaC4H8BrN
Molecular Weight150.02 g/mol
Exact Mass148.98
IUPAC Name3-bromo-1-methylazetidine
SMILESCN1CC(Br)C1
InChIInChI=1S/C4H8BrN/c1-6-2-4(5)3-6/h4H,2-3H2,1H3
InChIKeyVCZOCZGKKAIKIJ-UHFFFAOYSA-N
XLogP0.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.02
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-methylazetidine?
The IUPAC name of 3-bromo-1-methylazetidine (CID 164545813) is 3-bromo-1-methylazetidine.
What is the SMILES notation for 3-bromo-1-methylazetidine?
The canonical SMILES for 3-bromo-1-methylazetidine is CN1CC(Br)C1.
What is the InChIKey of 3-bromo-1-methylazetidine?
The InChIKey is VCZOCZGKKAIKIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrN/c1-6-2-4(5)3-6/h4H,2-3H2,1H3.
What are the key properties of 3-bromo-1-methylazetidine?
3-bromo-1-methylazetidine has a molecular weight of 150.02 g/mol, XLogP of 0.70, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-methylazetidine is sourced from PubChem (CID 164545813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).