[2-(bromomethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone

C11H18BrNO3 — CID 102937670

IUPAC[2-(bromomethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
SMILESCC1CN(C(=O)C2CCCO2)CC(CBr)O1
InChIInChI=1S/C11H18BrNO3/c1-8-6-13(7-9(5-12)16-8)11(14)10-3-2-4-15-10/h8-10H,2-7H2,1H3
InChIKeyCLZFCUGZPVIRMU-UHFFFAOYSA-N
MW292.17 g/mol
LogP1.18
Rot. Bonds2

About [2-(bromomethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone

[2-(bromomethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone (PubChem CID 102937670) has the molecular formula C11H18BrNO3 and a molecular weight of 292.17 g/mol. Its IUPAC name is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
PubChem CID102937670
Molecular FormulaC11H18BrNO3
Molecular Weight292.17 g/mol
Exact Mass291.05
IUPAC Name[2-(bromomethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
SMILESCC1CN(C(=O)C2CCCO2)CC(CBr)O1
InChIInChI=1S/C11H18BrNO3/c1-8-6-13(7-9(5-12)16-8)11(14)10-3-2-4-15-10/h8-10H,2-7H2,1H3
InChIKeyCLZFCUGZPVIRMU-UHFFFAOYSA-N
XLogP1.18
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 51.18
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

[2-(chloromethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone
CID 102937308
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2-methylcyclopentyl)methanone
CID 107184501
(3,5-dimethylpiperazin-1-yl)-[(2S)-oxolan-2-yl]methanone
CID 104856276
(3,5-dimethylpiperazin-1-yl)-(oxolan-2-yl)methanone
CID 63863884
1,4-dioxan-2-yl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934254
[(3R)-3-methylpyrrolidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 143794584
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(2,3-dihydro-1-benzofuran-2-yl)methanone
CID 102937972
(3-amino-4-methylpyrrolidin-1-yl)-(oxan-2-yl)methanone
CID 103575844
ethane;1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
CID 143678083
1-[(2S)-oxolane-2-carbonyl]azetidine-3-carboxylic acid
CID 104855720
2-[1-[(2S)-oxolane-2-carbonyl]azetidin-3-yl]propanoic acid
CID 104892399
[3-(bromomethyl)pyrrolidin-1-yl]-(oxan-2-yl)methanone
CID 80666631

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone?
The IUPAC name of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone (CID 102937670) is [2-(bromomethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone.
What is the SMILES notation for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone?
The canonical SMILES for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone is CC1CN(C(=O)C2CCCO2)CC(CBr)O1.
What is the InChIKey of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone?
The InChIKey is CLZFCUGZPVIRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrNO3/c1-8-6-13(7-9(5-12)16-8)11(14)10-3-2-4-15-10/h8-10H,2-7H2,1H3.
What are the key properties of [2-(bromomethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone?
[2-(bromomethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone has a molecular weight of 292.17 g/mol, XLogP of 1.18, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)-6-methylmorpholin-4-yl]-(oxolan-2-yl)methanone is sourced from PubChem (CID 102937670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).