4-(2-bromoethyl)morpholin-3-one

C6H10BrNO2 — CID 15287403

IUPAC4-(2-bromoethyl)morpholin-3-one
SMILESO=C1COCCN1CCBr
InChIInChI=1S/C6H10BrNO2/c7-1-2-8-3-4-10-5-6(8)9/h1-5H2
InChIKeyPBLRWJUCWHVDIY-UHFFFAOYSA-N
MW208.05 g/mol
LogP0.24
Rot. Bonds2

About 4-(2-bromoethyl)morpholin-3-one

4-(2-bromoethyl)morpholin-3-one (PubChem CID 15287403) has the molecular formula C6H10BrNO2 and a molecular weight of 208.05 g/mol. Its IUPAC name is 4-(2-bromoethyl)morpholin-3-one.

Molecular Properties

Compound Name4-(2-bromoethyl)morpholin-3-one
PubChem CID15287403
Molecular FormulaC6H10BrNO2
Molecular Weight208.05 g/mol
Exact Mass206.99
IUPAC Name4-(2-bromoethyl)morpholin-3-one
SMILESO=C1COCCN1CCBr
InChIInChI=1S/C6H10BrNO2/c7-1-2-8-3-4-10-5-6(8)9/h1-5H2
InChIKeyPBLRWJUCWHVDIY-UHFFFAOYSA-N
XLogP0.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.05
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-(2-bromoethyl)morpholin-3-one?
The IUPAC name of 4-(2-bromoethyl)morpholin-3-one (CID 15287403) is 4-(2-bromoethyl)morpholin-3-one.
What is the SMILES notation for 4-(2-bromoethyl)morpholin-3-one?
The canonical SMILES for 4-(2-bromoethyl)morpholin-3-one is O=C1COCCN1CCBr.
What is the InChIKey of 4-(2-bromoethyl)morpholin-3-one?
The InChIKey is PBLRWJUCWHVDIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrNO2/c7-1-2-8-3-4-10-5-6(8)9/h1-5H2.
What are the key properties of 4-(2-bromoethyl)morpholin-3-one?
4-(2-bromoethyl)morpholin-3-one has a molecular weight of 208.05 g/mol, XLogP of 0.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromoethyl)morpholin-3-one is sourced from PubChem (CID 15287403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).