[2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone

C10H16BrNO4 — CID 81211074

IUPAC[2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone
SMILESO=C(C1COCCO1)N1CCOC(CBr)C1
InChIInChI=1S/C10H16BrNO4/c11-5-8-6-12(1-2-15-8)10(13)9-7-14-3-4-16-9/h8-9H,1-7H2
InChIKeyYCSFSFMYYOWAOE-UHFFFAOYSA-N
MW294.15 g/mol
LogP0.02
Rot. Bonds2

About [2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone

[2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone (PubChem CID 81211074) has the molecular formula C10H16BrNO4 and a molecular weight of 294.15 g/mol. Its IUPAC name is [2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone.

Molecular Properties

Compound Name[2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone
PubChem CID81211074
Molecular FormulaC10H16BrNO4
Molecular Weight294.15 g/mol
Exact Mass293.03
IUPAC Name[2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone
SMILESO=C(C1COCCO1)N1CCOC(CBr)C1
InChIInChI=1S/C10H16BrNO4/c11-5-8-6-12(1-2-15-8)10(13)9-7-14-3-4-16-9/h8-9H,1-7H2
InChIKeyYCSFSFMYYOWAOE-UHFFFAOYSA-N
XLogP0.02
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze [2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone 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

[3-(2-bromoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 114801433
1-(1,4-dioxane-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 63031794
[3-(2-aminoethyl)pyrrolidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 114802188
[3-(chloromethyl)piperidin-1-yl]-(1,4-dioxan-2-yl)methanone
CID 63393242
1,4-dioxan-2-yl-[2-(hydroxymethyl)-6-methylmorpholin-4-yl]methanone
CID 102934254
1-[2-(bromomethyl)morpholin-4-yl]-2,2-dimethylpropan-1-one
CID 81211878
(3S)-1-(1,4-dioxane-2-carbonyl)piperidine-3-carboxylic acid
CID 81125447
[2-(bromomethyl)morpholin-4-yl]-(1,1-dioxothiolan-3-yl)methanone
CID 81210830
1,4-dioxan-2-yl-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
CID 43427982
1-[2-(bromomethyl)morpholin-4-yl]-3,3,3-trifluoropropan-1-one
CID 81211374
[2-(bromomethyl)morpholin-4-yl]-pyrimidin-5-ylmethanone
CID 102922742
[2-(bromomethyl)morpholin-4-yl]-(4-chlorophenyl)methanone
CID 81211077

Frequently Asked Questions

What is the IUPAC name of [2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone?
The IUPAC name of [2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone (CID 81211074) is [2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone.
What is the SMILES notation for [2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone?
The canonical SMILES for [2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone is O=C(C1COCCO1)N1CCOC(CBr)C1.
What is the InChIKey of [2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone?
The InChIKey is YCSFSFMYYOWAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrNO4/c11-5-8-6-12(1-2-15-8)10(13)9-7-14-3-4-16-9/h8-9H,1-7H2.
What are the key properties of [2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone?
[2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone has a molecular weight of 294.15 g/mol, XLogP of 0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(bromomethyl)morpholin-4-yl]-(1,4-dioxan-2-yl)methanone is sourced from PubChem (CID 81211074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).