iodo-methyl-morpholin-4-ylborane

C5H11BINO — CID 174148183

IUPACiodo-methyl-morpholin-4-ylborane
SMILESCB(I)N1CCOCC1
InChIInChI=1S/C5H11BINO/c1-6(7)8-2-4-9-5-3-8/h2-5H2,1H3
InChIKeyPLHNHIKRRINUHL-UHFFFAOYSA-N
MW238.86 g/mol
LogP0.87
Rot. Bonds1

About iodo-methyl-morpholin-4-ylborane

iodo-methyl-morpholin-4-ylborane (PubChem CID 174148183) has the molecular formula C5H11BINO and a molecular weight of 238.86 g/mol. Its IUPAC name is iodo-methyl-morpholin-4-ylborane.

Molecular Properties

Compound Nameiodo-methyl-morpholin-4-ylborane
PubChem CID174148183
Molecular FormulaC5H11BINO
Molecular Weight238.86 g/mol
Exact Mass239.00
IUPAC Nameiodo-methyl-morpholin-4-ylborane
SMILESCB(I)N1CCOCC1
InChIInChI=1S/C5H11BINO/c1-6(7)8-2-4-9-5-3-8/h2-5H2,1H3
InChIKeyPLHNHIKRRINUHL-UHFFFAOYSA-N
XLogP0.87
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.86
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze iodo-methyl-morpholin-4-ylborane 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

4-iodo-1,4-oxazepane
CID 89294846
19-methyl-1,4,7,10,13,16-hexaoxa-19-azacyclohenicosane
CID 6612303
ethane;4-methylmorpholine
CID 54432133
lithium;4-methylmorpholine;chloride
CID 172748649
diiodo(dimorpholin-4-yl)-λ4-sulfane
CID 131966372
4-(1-morpholin-4-ylcyclopropyl)morpholine
CID 121219677
trimorpholin-4-yl borate
CID 57215155
CID 135034340
CID 135034340
morpholin-4-ylazanide
CID 59315595
4-ethylmorpholine;hydron
CID 174383624
butane;bis(4-methylmorpholine)
CID 159010392
methyl(morpholin-4-yl)azanium iodide
CID 139948405

Frequently Asked Questions

What is the IUPAC name of iodo-methyl-morpholin-4-ylborane?
The IUPAC name of iodo-methyl-morpholin-4-ylborane (CID 174148183) is iodo-methyl-morpholin-4-ylborane.
What is the SMILES notation for iodo-methyl-morpholin-4-ylborane?
The canonical SMILES for iodo-methyl-morpholin-4-ylborane is CB(I)N1CCOCC1.
What is the InChIKey of iodo-methyl-morpholin-4-ylborane?
The InChIKey is PLHNHIKRRINUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11BINO/c1-6(7)8-2-4-9-5-3-8/h2-5H2,1H3.
What are the key properties of iodo-methyl-morpholin-4-ylborane?
iodo-methyl-morpholin-4-ylborane has a molecular weight of 238.86 g/mol, XLogP of 0.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for iodo-methyl-morpholin-4-ylborane is sourced from PubChem (CID 174148183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).