2-(1-iodoethoxy)-1-morpholin-4-ylethanone

C8H14INO3 — CID 139461043

IUPAC2-(1-iodoethoxy)-1-morpholin-4-ylethanone
SMILESCC(I)OCC(=O)N1CCOCC1
InChIInChI=1S/C8H14INO3/c1-7(9)13-6-8(11)10-2-4-12-5-3-10/h7H,2-6H2,1H3
InChIKeyNKAXSSXLPFLPNY-UHFFFAOYSA-N
MW299.11 g/mol
LogP0.64
Rot. Bonds3

About 2-(1-iodoethoxy)-1-morpholin-4-ylethanone

2-(1-iodoethoxy)-1-morpholin-4-ylethanone (PubChem CID 139461043) has the molecular formula C8H14INO3 and a molecular weight of 299.11 g/mol. Its IUPAC name is 2-(1-iodoethoxy)-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-(1-iodoethoxy)-1-morpholin-4-ylethanone
PubChem CID139461043
Molecular FormulaC8H14INO3
Molecular Weight299.11 g/mol
Exact Mass299.00
IUPAC Name2-(1-iodoethoxy)-1-morpholin-4-ylethanone
SMILESCC(I)OCC(=O)N1CCOCC1
InChIInChI=1S/C8H14INO3/c1-7(9)13-6-8(11)10-2-4-12-5-3-10/h7H,2-6H2,1H3
InChIKeyNKAXSSXLPFLPNY-UHFFFAOYSA-N
XLogP0.64
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(1-aminopropan-2-yloxy)-1-morpholin-4-ylethanone
CID 82352680
(2-morpholin-4-yl-2-oxoethyl) acetate;propanamide
CID 174960121
formaldehyde;3-methyl-1-morpholin-4-ylbutan-1-one
CID 143869951
1-morpholin-4-yl-3-(propan-2-ylamino)propan-1-one
CID 60853589
1-morpholin-4-yl-2-[3-(propan-2-ylamino)propoxy]ethanone
CID 62342996
2-(methoxyamino)-1-morpholin-4-ylethanone
CID 60702997
ethyl 2-[(2-morpholin-4-yl-2-oxoethyl)amino]propanoate
CID 54959986
[(2R)-6-morpholin-4-yl-6-oxohexan-2-yl] acetate
CID 25138440
(2R)-2-[(4-morpholin-4-yl-4-oxobutyl)amino]propanoic acid
CID 83194331
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

Frequently Asked Questions

What is the IUPAC name of 2-(1-iodoethoxy)-1-morpholin-4-ylethanone?
The IUPAC name of 2-(1-iodoethoxy)-1-morpholin-4-ylethanone (CID 139461043) is 2-(1-iodoethoxy)-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-(1-iodoethoxy)-1-morpholin-4-ylethanone?
The canonical SMILES for 2-(1-iodoethoxy)-1-morpholin-4-ylethanone is CC(I)OCC(=O)N1CCOCC1.
What is the InChIKey of 2-(1-iodoethoxy)-1-morpholin-4-ylethanone?
The InChIKey is NKAXSSXLPFLPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14INO3/c1-7(9)13-6-8(11)10-2-4-12-5-3-10/h7H,2-6H2,1H3.
What are the key properties of 2-(1-iodoethoxy)-1-morpholin-4-ylethanone?
2-(1-iodoethoxy)-1-morpholin-4-ylethanone has a molecular weight of 299.11 g/mol, XLogP of 0.64, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-iodoethoxy)-1-morpholin-4-ylethanone is sourced from PubChem (CID 139461043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).