1-(2-bromomorpholin-4-yl)propan-1-one

C7H12BrNO2 — CID 174521235

IUPAC1-(2-bromomorpholin-4-yl)propan-1-one
SMILESCCC(=O)N1CCOC(Br)C1
InChIInChI=1S/C7H12BrNO2/c1-2-7(10)9-3-4-11-6(8)5-9/h6H,2-5H2,1H3
InChIKeyJIPZERRLZKGYLO-UHFFFAOYSA-N
MW222.08 g/mol
LogP0.98
Rot. Bonds1

About 1-(2-bromomorpholin-4-yl)propan-1-one

1-(2-bromomorpholin-4-yl)propan-1-one (PubChem CID 174521235) has the molecular formula C7H12BrNO2 and a molecular weight of 222.08 g/mol. Its IUPAC name is 1-(2-bromomorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-bromomorpholin-4-yl)propan-1-one
PubChem CID174521235
Molecular FormulaC7H12BrNO2
Molecular Weight222.08 g/mol
Exact Mass221.01
IUPAC Name1-(2-bromomorpholin-4-yl)propan-1-one
SMILESCCC(=O)N1CCOC(Br)C1
InChIInChI=1S/C7H12BrNO2/c1-2-7(10)9-3-4-11-6(8)5-9/h6H,2-5H2,1H3
InChIKeyJIPZERRLZKGYLO-UHFFFAOYSA-N
XLogP0.98
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.08
LogP ≤ 50.98
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 1-(2-bromomorpholin-4-yl)propan-1-one?
The IUPAC name of 1-(2-bromomorpholin-4-yl)propan-1-one (CID 174521235) is 1-(2-bromomorpholin-4-yl)propan-1-one.
What is the SMILES notation for 1-(2-bromomorpholin-4-yl)propan-1-one?
The canonical SMILES for 1-(2-bromomorpholin-4-yl)propan-1-one is CCC(=O)N1CCOC(Br)C1.
What is the InChIKey of 1-(2-bromomorpholin-4-yl)propan-1-one?
The InChIKey is JIPZERRLZKGYLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrNO2/c1-2-7(10)9-3-4-11-6(8)5-9/h6H,2-5H2,1H3.
What are the key properties of 1-(2-bromomorpholin-4-yl)propan-1-one?
1-(2-bromomorpholin-4-yl)propan-1-one has a molecular weight of 222.08 g/mol, XLogP of 0.98, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromomorpholin-4-yl)propan-1-one is sourced from PubChem (CID 174521235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).