[iodo(methyl)-λ3-iodanyl]-morpholin-4-ylmethanone

C6H11I2NO2 — CID 147456598

IUPAC[iodo(methyl)-λ3-iodanyl]-morpholin-4-ylmethanone
SMILESCI(I)C(=O)N1CCOCC1
InChIInChI=1S/C6H11I2NO2/c1-8(7)6(10)9-2-4-11-5-3-9/h2-5H2,1H3
InChIKeyDZCKFKMDEJDLLP-UHFFFAOYSA-N
MW382.97 g/mol
LogP1.92
Rot. Bonds1

About [iodo(methyl)-λ3-iodanyl]-morpholin-4-ylmethanone

[iodo(methyl)-λ3-iodanyl]-morpholin-4-ylmethanone (PubChem CID 147456598) has the molecular formula C6H11I2NO2 and a molecular weight of 382.97 g/mol. Its IUPAC name is [iodo(methyl)-λ3-iodanyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[iodo(methyl)-λ3-iodanyl]-morpholin-4-ylmethanone
PubChem CID147456598
Molecular FormulaC6H11I2NO2
Molecular Weight382.97 g/mol
Exact Mass382.89
IUPAC Name[iodo(methyl)-λ3-iodanyl]-morpholin-4-ylmethanone
SMILESCI(I)C(=O)N1CCOCC1
InChIInChI=1S/C6H11I2NO2/c1-8(7)6(10)9-2-4-11-5-3-9/h2-5H2,1H3
InChIKeyDZCKFKMDEJDLLP-UHFFFAOYSA-N
XLogP1.92
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.97
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

1-(1,4,7,10,13,16,19-heptaoxa-22-azacyclotetracos-22-yl)ethanone
CID 20707611
1-(1,4,7,10,13-pentaoxa-16-azacyclooctadec-16-yl)ethanone
CID 10335257
1-(1,4,7-trioxa-10-azacyclododec-10-yl)ethanone
CID 949153
N-acetylmorpholine-4-carboxamide
CID 102407930
2-bromo-2,2-dideuterio-1-morpholin-4-ylethanone
CID 119030514
CID 136747595
CID 136747595
(morpholine-4-carbonylamino) thiohypoiodite
CID 126604146
ethane;(2-morpholin-4-yl-2-oxoethyl)azanide;yttrium
CID 153399009
methyl morpholine-4-carboxylate
CID 12575354
3-[methyl-(3-morpholin-4-yl-3-oxopropyl)amino]-1-morpholin-4-ylpropan-1-one
CID 23422467
(2-morpholin-4-yl-2-oxoethyl)azanide;yttrium
CID 176949022
(E)-1,4-dimorpholin-4-ylbut-2-ene-1,4-dione
CID 728972

Frequently Asked Questions

What is the IUPAC name of [iodo(methyl)-λ3-iodanyl]-morpholin-4-ylmethanone?
The IUPAC name of [iodo(methyl)-λ3-iodanyl]-morpholin-4-ylmethanone (CID 147456598) is [iodo(methyl)-λ3-iodanyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [iodo(methyl)-λ3-iodanyl]-morpholin-4-ylmethanone?
The canonical SMILES for [iodo(methyl)-λ3-iodanyl]-morpholin-4-ylmethanone is CI(I)C(=O)N1CCOCC1.
What is the InChIKey of [iodo(methyl)-λ3-iodanyl]-morpholin-4-ylmethanone?
The InChIKey is DZCKFKMDEJDLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11I2NO2/c1-8(7)6(10)9-2-4-11-5-3-9/h2-5H2,1H3.
What are the key properties of [iodo(methyl)-λ3-iodanyl]-morpholin-4-ylmethanone?
[iodo(methyl)-λ3-iodanyl]-morpholin-4-ylmethanone has a molecular weight of 382.97 g/mol, XLogP of 1.92, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [iodo(methyl)-λ3-iodanyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 147456598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).