3-(1-bromoethyl)azetidine

C5H10BrN — CID 167740275

IUPAC3-(1-bromoethyl)azetidine
SMILESCC(Br)C1CNC1
InChIInChI=1S/C5H10BrN/c1-4(6)5-2-7-3-5/h4-5,7H,2-3H2,1H3
InChIKeyUTSQIIFMJMHYEM-UHFFFAOYSA-N
MW164.05 g/mol
LogP0.99
Rot. Bonds1

About 3-(1-bromoethyl)azetidine

3-(1-bromoethyl)azetidine (PubChem CID 167740275) has the molecular formula C5H10BrN and a molecular weight of 164.05 g/mol. Its IUPAC name is 3-(1-bromoethyl)azetidine.

Molecular Properties

Compound Name3-(1-bromoethyl)azetidine
PubChem CID167740275
Molecular FormulaC5H10BrN
Molecular Weight164.05 g/mol
Exact Mass163.00
IUPAC Name3-(1-bromoethyl)azetidine
SMILESCC(Br)C1CNC1
InChIInChI=1S/C5H10BrN/c1-4(6)5-2-7-3-5/h4-5,7H,2-3H2,1H3
InChIKeyUTSQIIFMJMHYEM-UHFFFAOYSA-N
XLogP0.99
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.05
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(azetidin-3-yl)ethanamine
CID 96955547
1-(azetidin-3-yl)ethanethiol
CID 123520363
1-(azetidin-3-yl)ethanol;hydrochloride
CID 118703436
1-(azetidin-3-yl)-3-methylbutan-1-amine
CID 116935262
1-bromoethylcyclododecane
CID 66471074
1-(1-bromoethyl)-3-methylcyclobutane
CID 103565382
aziridine;1,1-dibromoethane
CID 175898882
1-(azetidin-3-yl)ethanamine;propan-2-yloxysilane
CID 173050421
1-[1-(azetidin-3-yl)ethyl]piperazine
CID 173074477
3-(difluoromethyl)azetidine;hydrochloride
CID 66653486
(3R,5R)-3-methoxy-5-propan-2-ylpiperidine
CID 139339698
6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexane
CID 130919289

Frequently Asked Questions

What is the IUPAC name of 3-(1-bromoethyl)azetidine?
The IUPAC name of 3-(1-bromoethyl)azetidine (CID 167740275) is 3-(1-bromoethyl)azetidine.
What is the SMILES notation for 3-(1-bromoethyl)azetidine?
The canonical SMILES for 3-(1-bromoethyl)azetidine is CC(Br)C1CNC1.
What is the InChIKey of 3-(1-bromoethyl)azetidine?
The InChIKey is UTSQIIFMJMHYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10BrN/c1-4(6)5-2-7-3-5/h4-5,7H,2-3H2,1H3.
What are the key properties of 3-(1-bromoethyl)azetidine?
3-(1-bromoethyl)azetidine has a molecular weight of 164.05 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-bromoethyl)azetidine is sourced from PubChem (CID 167740275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).