1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-propan-2-yloxyethanone

C11H20BrNO3 — CID 102937838

IUPAC1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CC(C)OC(CBr)C1
InChIInChI=1S/C11H20BrNO3/c1-8(2)15-7-11(14)13-5-9(3)16-10(4-12)6-13/h8-10H,4-7H2,1-3H3
InChIKeyKYVHHRINXSIVLD-UHFFFAOYSA-N
MW294.19 g/mol
LogP1.42
Rot. Bonds4

About 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-propan-2-yloxyethanone

1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-propan-2-yloxyethanone (PubChem CID 102937838) has the molecular formula C11H20BrNO3 and a molecular weight of 294.19 g/mol. Its IUPAC name is 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-propan-2-yloxyethanone.

Molecular Properties

Compound Name1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-propan-2-yloxyethanone
PubChem CID102937838
Molecular FormulaC11H20BrNO3
Molecular Weight294.19 g/mol
Exact Mass293.06
IUPAC Name1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-propan-2-yloxyethanone
SMILESCC(C)OCC(=O)N1CC(C)OC(CBr)C1
InChIInChI=1S/C11H20BrNO3/c1-8(2)15-7-11(14)13-5-9(3)16-10(4-12)6-13/h8-10H,4-7H2,1-3H3
InChIKeyKYVHHRINXSIVLD-UHFFFAOYSA-N
XLogP1.42
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-phenoxyethanone
CID 102937749
4-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938983
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-(propan-2-ylamino)ethanone
CID 102932666
2-[1-(2-propan-2-yloxyacetyl)azetidin-3-yl]propanoic acid
CID 116681516
methyl 4-methyl-1-(2-propan-2-yloxyacetyl)pyrrolidine-3-carboxylate
CID 112697970
2-bromo-1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]ethanone
CID 53216148
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-(2,5-dimethylphenyl)ethanone
CID 102937921
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 102937987
5-hydroxy-1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]pentan-1-one
CID 102938984
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone
CID 107184501
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-ethoxyethanone
CID 2163030
1-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]-2-methylsulfanylethanone
CID 102934667

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-propan-2-yloxyethanone?
The IUPAC name of 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-propan-2-yloxyethanone (CID 102937838) is 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-propan-2-yloxyethanone.
What is the SMILES notation for 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-propan-2-yloxyethanone?
The canonical SMILES for 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-propan-2-yloxyethanone is CC(C)OCC(=O)N1CC(C)OC(CBr)C1.
What is the InChIKey of 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-propan-2-yloxyethanone?
The InChIKey is KYVHHRINXSIVLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrNO3/c1-8(2)15-7-11(14)13-5-9(3)16-10(4-12)6-13/h8-10H,4-7H2,1-3H3.
What are the key properties of 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-propan-2-yloxyethanone?
1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-propan-2-yloxyethanone has a molecular weight of 294.19 g/mol, XLogP of 1.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)-6-methylmorpholin-4-yl]-2-propan-2-yloxyethanone is sourced from PubChem (CID 102937838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).