1-bromo-2-methylazetidine

C4H8BrN — CID 535651

IUPAC1-bromo-2-methylazetidine
SMILESCC1CCN1Br
InChIInChI=1S/C4H8BrN/c1-4-2-3-6(4)5/h4H,2-3H2,1H3
InChIKeyZWXSTDVHCOZIKS-UHFFFAOYSA-N
MW150.02 g/mol
LogP1.39
Rot. Bonds

About 1-bromo-2-methylazetidine

1-bromo-2-methylazetidine (PubChem CID 535651) has the molecular formula C4H8BrN and a molecular weight of 150.02 g/mol. Its IUPAC name is 1-bromo-2-methylazetidine.

Molecular Properties

Compound Name1-bromo-2-methylazetidine
PubChem CID535651
Molecular FormulaC4H8BrN
Molecular Weight150.02 g/mol
Exact Mass148.98
IUPAC Name1-bromo-2-methylazetidine
SMILESCC1CCN1Br
InChIInChI=1S/C4H8BrN/c1-4-2-3-6(4)5/h4H,2-3H2,1H3
InChIKeyZWXSTDVHCOZIKS-UHFFFAOYSA-N
XLogP1.39
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 ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromo-2-methylazetidine?
The IUPAC name of 1-bromo-2-methylazetidine (CID 535651) is 1-bromo-2-methylazetidine.
What is the SMILES notation for 1-bromo-2-methylazetidine?
The canonical SMILES for 1-bromo-2-methylazetidine is CC1CCN1Br.
What is the InChIKey of 1-bromo-2-methylazetidine?
The InChIKey is ZWXSTDVHCOZIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8BrN/c1-4-2-3-6(4)5/h4H,2-3H2,1H3.
What are the key properties of 1-bromo-2-methylazetidine?
1-bromo-2-methylazetidine has a molecular weight of 150.02 g/mol, XLogP of 1.39, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-2-methylazetidine is sourced from PubChem (CID 535651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).