2-bromo-1-(2,3-dimethylmorpholin-4-yl)-2-methylpropan-1-one

C10H18BrNO2 — CID 130825771

IUPAC2-bromo-1-(2,3-dimethylmorpholin-4-yl)-2-methylpropan-1-one
SMILESCC1OCCN(C(=O)C(C)(C)Br)C1C
InChIInChI=1S/C10H18BrNO2/c1-7-8(2)14-6-5-12(7)9(13)10(3,4)11/h7-8H,5-6H2,1-4H3
InChIKeyKLRSZDXAOABMRI-UHFFFAOYSA-N
MW264.16 g/mol
LogP1.80
Rot. Bonds1

About 2-bromo-1-(2,3-dimethylmorpholin-4-yl)-2-methylpropan-1-one

2-bromo-1-(2,3-dimethylmorpholin-4-yl)-2-methylpropan-1-one (PubChem CID 130825771) has the molecular formula C10H18BrNO2 and a molecular weight of 264.16 g/mol. Its IUPAC name is 2-bromo-1-(2,3-dimethylmorpholin-4-yl)-2-methylpropan-1-one.

Molecular Properties

Compound Name2-bromo-1-(2,3-dimethylmorpholin-4-yl)-2-methylpropan-1-one
PubChem CID130825771
Molecular FormulaC10H18BrNO2
Molecular Weight264.16 g/mol
Exact Mass263.05
IUPAC Name2-bromo-1-(2,3-dimethylmorpholin-4-yl)-2-methylpropan-1-one
SMILESCC1OCCN(C(=O)C(C)(C)Br)C1C
InChIInChI=1S/C10H18BrNO2/c1-7-8(2)14-6-5-12(7)9(13)10(3,4)11/h7-8H,5-6H2,1-4H3
InChIKeyKLRSZDXAOABMRI-UHFFFAOYSA-N
XLogP1.80
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 ≤ 51.80
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

N-tert-butyl-2,3-dimethylmorpholine-4-carboxamide
CID 110748549
N-(2,2-dimethylpropyl)-2,3-dimethylmorpholine-4-carboxamide
CID 110748551
(2,3-dimethylmorpholin-4-yl)-(4-fluorophenyl)methanone
CID 110727735
1-[4-(2,3-dimethylmorpholine-4-carbonyl)piperidin-1-yl]ethanone
CID 110744442
N-(3,5-difluorophenyl)-2-[(2R,3R)-2,3-dimethylmorpholin-4-yl]-2-oxoacetamide
CID 124621960
(2,3-dimethylmorpholin-4-yl)-(4-propan-2-ylphenyl)methanone
CID 110727739
2-(2,3-dimethylmorpholine-4-carbonyl)pyridine-4-carboxylic acid
CID 122055971
2-bromo-2-methyl-1-(2-methylpiperidin-1-yl)propan-1-one
CID 82110102
(2S)-2-amino-1-[(2S,3S)-2,3-dimethylmorpholin-4-yl]-2-phenylethanone
CID 129436950
N-[4-(2,3-dimethylmorpholine-4-carbonyl)phenyl]acetamide
CID 110744443
ethane;(2R)-2,3,4-trimethylmorpholine
CID 143986046
N-(3-ethyl-1-methylpyrazol-4-yl)-2,3-dimethylmorpholine-4-carboxamide
CID 84597782

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2,3-dimethylmorpholin-4-yl)-2-methylpropan-1-one?
The IUPAC name of 2-bromo-1-(2,3-dimethylmorpholin-4-yl)-2-methylpropan-1-one (CID 130825771) is 2-bromo-1-(2,3-dimethylmorpholin-4-yl)-2-methylpropan-1-one.
What is the SMILES notation for 2-bromo-1-(2,3-dimethylmorpholin-4-yl)-2-methylpropan-1-one?
The canonical SMILES for 2-bromo-1-(2,3-dimethylmorpholin-4-yl)-2-methylpropan-1-one is CC1OCCN(C(=O)C(C)(C)Br)C1C.
What is the InChIKey of 2-bromo-1-(2,3-dimethylmorpholin-4-yl)-2-methylpropan-1-one?
The InChIKey is KLRSZDXAOABMRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrNO2/c1-7-8(2)14-6-5-12(7)9(13)10(3,4)11/h7-8H,5-6H2,1-4H3.
What are the key properties of 2-bromo-1-(2,3-dimethylmorpholin-4-yl)-2-methylpropan-1-one?
2-bromo-1-(2,3-dimethylmorpholin-4-yl)-2-methylpropan-1-one has a molecular weight of 264.16 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2,3-dimethylmorpholin-4-yl)-2-methylpropan-1-one is sourced from PubChem (CID 130825771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).