1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one

C10H18BrNO2 — CID 81211878

IUPAC1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCOC(CBr)C1
InChIInChI=1S/C10H18BrNO2/c1-10(2,3)9(13)12-4-5-14-8(6-11)7-12/h8H,4-7H2,1-3H3
InChIKeySEXVILZRNDBLSP-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.65
Rot. Bonds1

About 1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one

1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one (PubChem CID 81211878) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is 1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one.

Molecular Properties

Compound Name1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one
PubChem CID81211878
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Name1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one
SMILESCC(C)(C)C(=O)N1CCOC(CBr)C1
InChIInChI=1S/C10H18BrNO2/c1-10(2,3)9(13)12-4-5-14-8(6-11)7-12/h8H,4-7H2,1-3H3
InChIKeySEXVILZRNDBLSP-UHFFFAOYSA-N
XLogP1.65
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.16
LogP ≤ 51.65
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

1-[(2R)-2-ethylmorpholin-4-yl]-2,2-dimethylpropan-1-one
CID 166684101
2-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]acetic acid
CID 66420375
1-[2-(bromomethyl)morpholin-4-yl]-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 112604041
3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 166881497
1-[2-(bromomethyl)morpholin-4-yl]-3,3,3-trifluoropropan-1-one
CID 81211374
4-(2,2-dimethylpropanoyl)morpholine-2-carboxylic acid
CID 54595495
2-fluoro-1-[2-(hydroxymethyl)morpholin-4-yl]-2-methylpropan-1-one
CID 130165226
3-[2-(hydroxymethyl)morpholin-4-yl]-2,2-dimethyl-3-oxopropanoic acid
CID 82820748
1-[2-(hydroxymethyl)morpholin-4-yl]-2-methyl-2-methylsulfonylpropan-1-one
CID 81209184
1-[2-(bromomethyl)morpholin-4-yl]-2-(4-methylphenyl)ethanone
CID 81210723
1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one
CID 114876906
[2-(bromomethyl)morpholin-4-yl]-(3,5-dimethylphenyl)methanone
CID 81210603

Frequently Asked Questions

What is the IUPAC name of 1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one?
The IUPAC name of 1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one (CID 81211878) is 1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one.
What is the SMILES notation for 1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one?
The canonical SMILES for 1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one is CC(C)(C)C(=O)N1CCOC(CBr)C1.
What is the InChIKey of 1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one?
The InChIKey is SEXVILZRNDBLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-10(2,3)9(13)12-4-5-14-8(6-11)7-12/h8H,4-7H2,1-3H3.
What are the key properties of 1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one?
1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one has a molecular weight of 264.16 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one is sourced from PubChem (CID 81211878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).