2-bromo-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one

C11H20BrNO2 — CID 107905897

IUPAC2-bromo-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
SMILESCC(Br)C(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C11H20BrNO2/c1-8(12)9(14)13-6-10(2,3)15-11(4,5)7-13/h8H,6-7H2,1-5H3
InChIKeyGOZCCKFRRQASNC-UHFFFAOYSA-N
MW278.19 g/mol
LogP2.19
Rot. Bonds1

About 2-bromo-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one

2-bromo-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one (PubChem CID 107905897) has the molecular formula C11H20BrNO2 and a molecular weight of 278.19 g/mol. Its IUPAC name is 2-bromo-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one.

Molecular Properties

Compound Name2-bromo-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
PubChem CID107905897
Molecular FormulaC11H20BrNO2
Molecular Weight278.19 g/mol
Exact Mass277.07
IUPAC Name2-bromo-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
SMILESCC(Br)C(=O)N1CC(C)(C)OC(C)(C)C1
InChIInChI=1S/C11H20BrNO2/c1-8(12)9(14)13-6-10(2,3)15-11(4,5)7-13/h8H,6-7H2,1-5H3
InChIKeyGOZCCKFRRQASNC-UHFFFAOYSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.19
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102743719
(2S)-2-amino-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102743605
2-methoxy-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one
CID 102737661
2-bromo-1-(2,2-dimethylmorpholin-4-yl)propan-1-one
CID 107903459
2-bromo-1-(2,2-dimethyl-1,4-oxazepan-4-yl)propan-1-one
CID 131207158
(2S)-2-amino-3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-1-one
CID 102743783
3,3-dimethyl-2-(2,2,6,6-tetramethylmorpholine-4-carbonyl)butanoic acid
CID 102745109
2-bromo-1-(2,2-dimethylthiomorpholin-4-yl)propan-1-one
CID 107905824
2,2,6,6-tetramethylmorpholine-4-carbohydrazide
CID 102745077
1-(2-azaspiro[4.4]nonan-2-yl)-2-bromopropan-1-one
CID 130516375
azepan-1-yl-(2,2,6,6-tetramethylmorpholin-4-yl)methanone
CID 102743359
(2S)-2-bromo-1-[(2R,6R)-2,6-dimethylmorpholin-4-yl]propan-1-one
CID 124552619

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
The IUPAC name of 2-bromo-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one (CID 107905897) is 2-bromo-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one.
What is the SMILES notation for 2-bromo-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
The canonical SMILES for 2-bromo-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one is CC(Br)C(=O)N1CC(C)(C)OC(C)(C)C1.
What is the InChIKey of 2-bromo-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
The InChIKey is GOZCCKFRRQASNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO2/c1-8(12)9(14)13-6-10(2,3)15-11(4,5)7-13/h8H,6-7H2,1-5H3.
What are the key properties of 2-bromo-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one?
2-bromo-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one has a molecular weight of 278.19 g/mol, XLogP of 2.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-one is sourced from PubChem (CID 107905897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).