4-[1-(2-bromoethyl)azetidin-3-yl]morpholine

C9H17BrN2O — CID 139323330

IUPAC4-[1-(2-bromoethyl)azetidin-3-yl]morpholine
SMILESBrCCN1CC(N2CCOCC2)C1
InChIInChI=1S/C9H17BrN2O/c10-1-2-11-7-9(8-11)12-3-5-13-6-4-12/h9H,1-8H2
InChIKeyCJSMBQWESKUWDK-UHFFFAOYSA-N
MW249.15 g/mol
LogP0.40
Rot. Bonds3

About 4-[1-(2-bromoethyl)azetidin-3-yl]morpholine

4-[1-(2-bromoethyl)azetidin-3-yl]morpholine (PubChem CID 139323330) has the molecular formula C9H17BrN2O and a molecular weight of 249.15 g/mol. Its IUPAC name is 4-[1-(2-bromoethyl)azetidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-(2-bromoethyl)azetidin-3-yl]morpholine
PubChem CID139323330
Molecular FormulaC9H17BrN2O
Molecular Weight249.15 g/mol
Exact Mass248.05
IUPAC Name4-[1-(2-bromoethyl)azetidin-3-yl]morpholine
SMILESBrCCN1CC(N2CCOCC2)C1
InChIInChI=1S/C9H17BrN2O/c10-1-2-11-7-9(8-11)12-3-5-13-6-4-12/h9H,1-8H2
InChIKeyCJSMBQWESKUWDK-UHFFFAOYSA-N
XLogP0.40
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.15
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 4-[1-(2-bromoethyl)azetidin-3-yl]morpholine?
The IUPAC name of 4-[1-(2-bromoethyl)azetidin-3-yl]morpholine (CID 139323330) is 4-[1-(2-bromoethyl)azetidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-(2-bromoethyl)azetidin-3-yl]morpholine?
The canonical SMILES for 4-[1-(2-bromoethyl)azetidin-3-yl]morpholine is BrCCN1CC(N2CCOCC2)C1.
What is the InChIKey of 4-[1-(2-bromoethyl)azetidin-3-yl]morpholine?
The InChIKey is CJSMBQWESKUWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrN2O/c10-1-2-11-7-9(8-11)12-3-5-13-6-4-12/h9H,1-8H2.
What are the key properties of 4-[1-(2-bromoethyl)azetidin-3-yl]morpholine?
4-[1-(2-bromoethyl)azetidin-3-yl]morpholine has a molecular weight of 249.15 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2-bromoethyl)azetidin-3-yl]morpholine is sourced from PubChem (CID 139323330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).