2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone

C9H16BrNO2 — CID 102543735

IUPAC2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone
SMILESCC(C)C1CN(C(=O)CBr)CCO1
InChIInChI=1S/C9H16BrNO2/c1-7(2)8-6-11(3-4-13-8)9(12)5-10/h7-8H,3-6H2,1-2H3
InChIKeyZLTLWQYEFCEUOS-UHFFFAOYSA-N
MW250.14 g/mol
LogP1.26
Rot. Bonds2

About 2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone

2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone (PubChem CID 102543735) has the molecular formula C9H16BrNO2 and a molecular weight of 250.14 g/mol. Its IUPAC name is 2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone.

Molecular Properties

Compound Name2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone
PubChem CID102543735
Molecular FormulaC9H16BrNO2
Molecular Weight250.14 g/mol
Exact Mass249.04
IUPAC Name2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone
SMILESCC(C)C1CN(C(=O)CBr)CCO1
InChIInChI=1S/C9H16BrNO2/c1-7(2)8-6-11(3-4-13-8)9(12)5-10/h7-8H,3-6H2,1-2H3
InChIKeyZLTLWQYEFCEUOS-UHFFFAOYSA-N
XLogP1.26
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.14
LogP ≤ 51.26
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-bromo-1-[2-(hydroxymethyl)morpholin-4-yl]ethanone
CID 81203713
(4,4-difluoropyrrolidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone
CID 120955507
4-[(2-propan-2-ylmorpholine-4-carbonyl)amino]butanoic acid
CID 122022926
(1,4-dimethylpiperazin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone
CID 58469068
(1-methylpiperidin-2-yl)-(2-propan-2-ylmorpholin-4-yl)methanone
CID 58468874
tert-butyl 3-(2-propan-2-ylmorpholine-4-carbonyl)pyrrolidine-1-carboxylate
CID 75448497
1-[2-(bromomethyl)morpholin-4-yl]-3-methylpentan-1-one
CID 114876906
2-amino-1-[2-(1-aminoethyl)morpholin-4-yl]propan-1-one
CID 131134178
(2R)-4-methyl-2-propan-2-ylmorpholine
CID 155242186
4-(4-methylpentanoyl)morpholine-2-carbothioamide
CID 79674672
1-[(2-propan-2-ylmorpholin-4-yl)methyl]cyclopropane-1-carboxylic acid
CID 58468897
1-[2-(1-aminoethyl)morpholin-4-yl]-3-phenylpropan-1-one
CID 81424795

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone?
The IUPAC name of 2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone (CID 102543735) is 2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone.
What is the SMILES notation for 2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone?
The canonical SMILES for 2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone is CC(C)C1CN(C(=O)CBr)CCO1.
What is the InChIKey of 2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone?
The InChIKey is ZLTLWQYEFCEUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16BrNO2/c1-7(2)8-6-11(3-4-13-8)9(12)5-10/h7-8H,3-6H2,1-2H3.
What are the key properties of 2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone?
2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone has a molecular weight of 250.14 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-(2-propan-2-ylmorpholin-4-yl)ethanone is sourced from PubChem (CID 102543735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).