2-bromo-2,2-dideuterio-1-morpholin-4-ylethanone

C6H10BrNO2 — CID 119030514

IUPAC2-bromo-2,2-dideuterio-1-morpholin-4-ylethanone
SMILES[2H]C([2H])(Br)C(=O)N1CCOCC1
InChIInChI=1S/C6H10BrNO2/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2/i5D2
InChIKeyLLLQAMNGYJQUKK-BFWBPSQCSA-N
MW210.07 g/mol
LogP0.24
Rot. Bonds1

About 2-bromo-2,2-dideuterio-1-morpholin-4-ylethanone

2-bromo-2,2-dideuterio-1-morpholin-4-ylethanone (PubChem CID 119030514) has the molecular formula C6H10BrNO2 and a molecular weight of 210.07 g/mol. Its IUPAC name is 2-bromo-2,2-dideuterio-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-bromo-2,2-dideuterio-1-morpholin-4-ylethanone
PubChem CID119030514
Molecular FormulaC6H10BrNO2
Molecular Weight210.07 g/mol
Exact Mass209.00
IUPAC Name2-bromo-2,2-dideuterio-1-morpholin-4-ylethanone
SMILES[2H]C([2H])(Br)C(=O)N1CCOCC1
InChIInChI=1S/C6H10BrNO2/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2/i5D2
InChIKeyLLLQAMNGYJQUKK-BFWBPSQCSA-N
XLogP0.24
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.07
LogP ≤ 50.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-bromo-2,2-dideuterio-1-morpholin-4-ylethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-bromo-1-(1,4-oxazepan-4-yl)ethanone
CID 63679551
ethane;(2-morpholin-4-yl-2-oxoethyl)azanide;yttrium
CID 153399009
(2-morpholin-4-yl-2-oxoethyl)azanide;yttrium
CID 176949022
2-(disulfanyl)-1-morpholin-4-ylethanone
CID 144729362
ethane;1-morpholin-4-ylhexan-1-one
CID 143214280
5-morpholin-4-yl-5-oxopentanamide
CID 135345694
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
5-hydroxy-1-morpholin-4-ylpentan-1-one
CID 54520383
2-chloro-1-morpholin-4-ylethanone;2-chloro-1-piperidin-1-ylethanone
CID 21435705
2-(1-iodoethoxy)-1-morpholin-4-ylethanone
CID 139461043
formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one
CID 143869951
5-amino-1-morpholin-4-ylpentan-1-one
CID 54404632

Frequently Asked Questions

What is the IUPAC name of 2-bromo-2,2-dideuterio-1-morpholin-4-ylethanone?
The IUPAC name of 2-bromo-2,2-dideuterio-1-morpholin-4-ylethanone (CID 119030514) is 2-bromo-2,2-dideuterio-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-bromo-2,2-dideuterio-1-morpholin-4-ylethanone?
The canonical SMILES for 2-bromo-2,2-dideuterio-1-morpholin-4-ylethanone is [2H]C([2H])(Br)C(=O)N1CCOCC1.
What is the InChIKey of 2-bromo-2,2-dideuterio-1-morpholin-4-ylethanone?
The InChIKey is LLLQAMNGYJQUKK-BFWBPSQCSA-N. The full InChI is InChI=1S/C6H10BrNO2/c7-5-6(9)8-1-3-10-4-2-8/h1-5H2/i5D2.
What are the key properties of 2-bromo-2,2-dideuterio-1-morpholin-4-ylethanone?
2-bromo-2,2-dideuterio-1-morpholin-4-ylethanone has a molecular weight of 210.07 g/mol, XLogP of 0.24, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-2,2-dideuterio-1-morpholin-4-ylethanone is sourced from PubChem (CID 119030514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).