1-(3-iodomorpholin-4-yl)ethanone

C6H10INO2 — CID 140998826

IUPAC1-(3-iodomorpholin-4-yl)ethanone
SMILESCC(=O)N1CCOCC1I
InChIInChI=1S/C6H10INO2/c1-5(9)8-2-3-10-4-6(8)7/h6H,2-4H2,1H3
InChIKeyNHSNWTGAPWXGCO-UHFFFAOYSA-N
MW255.05 g/mol
LogP0.63
Rot. Bonds

About 1-(3-iodomorpholin-4-yl)ethanone

1-(3-iodomorpholin-4-yl)ethanone (PubChem CID 140998826) has the molecular formula C6H10INO2 and a molecular weight of 255.05 g/mol. Its IUPAC name is 1-(3-iodomorpholin-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-iodomorpholin-4-yl)ethanone
PubChem CID140998826
Molecular FormulaC6H10INO2
Molecular Weight255.05 g/mol
Exact Mass254.98
IUPAC Name1-(3-iodomorpholin-4-yl)ethanone
SMILESCC(=O)N1CCOCC1I
InChIInChI=1S/C6H10INO2/c1-5(9)8-2-3-10-4-6(8)7/h6H,2-4H2,1H3
InChIKeyNHSNWTGAPWXGCO-UHFFFAOYSA-N
XLogP0.63
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.05
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3-iodomorpholin-4-yl)ethanone 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

1-[(3R)-3-[(tert-butylamino)methyl]morpholin-4-yl]ethanone
CID 162424231
1-[(3R)-3-[(propan-2-ylamino)methyl]morpholin-4-yl]ethanone
CID 139553526
1-[3-(4-fluorophenyl)morpholin-4-yl]ethanone
CID 110663815
(2S)-1-[(5aR,8aR)-2,3,5,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]oxazepin-1-yl]-2-aminopropan-1-one
CID 129498922
3-methyl-1-(3-methylmorpholin-4-yl)but-2-en-1-one
CID 130157030
tert-butyl (3R)-3-(5H-tetrazol-5-yl)morpholine-4-carboxylate
CID 129389337
N-methyl-4-(3-oxobutanoyl)morpholine-3-carboxamide
CID 83097475
(3S)-3-iodomorpholin-4-amine
CID 126516016
3-hydroxymorpholine-4-carboxylic acid
CID 66845221
2-chloro-1-(3-cyclopropylmorpholin-4-yl)ethanone
CID 71757652
1-(2,3,5,5a,6,7,8,8a-octahydrocyclopenta[e][1,4]oxazepin-1-yl)-2-chloropropan-1-one
CID 121204477
methyl 3-methylmorpholine-4-carboxylate
CID 110292243

Frequently Asked Questions

What is the IUPAC name of 1-(3-iodomorpholin-4-yl)ethanone?
The IUPAC name of 1-(3-iodomorpholin-4-yl)ethanone (CID 140998826) is 1-(3-iodomorpholin-4-yl)ethanone.
What is the SMILES notation for 1-(3-iodomorpholin-4-yl)ethanone?
The canonical SMILES for 1-(3-iodomorpholin-4-yl)ethanone is CC(=O)N1CCOCC1I.
What is the InChIKey of 1-(3-iodomorpholin-4-yl)ethanone?
The InChIKey is NHSNWTGAPWXGCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO2/c1-5(9)8-2-3-10-4-6(8)7/h6H,2-4H2,1H3.
What are the key properties of 1-(3-iodomorpholin-4-yl)ethanone?
1-(3-iodomorpholin-4-yl)ethanone has a molecular weight of 255.05 g/mol, XLogP of 0.63, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-iodomorpholin-4-yl)ethanone is sourced from PubChem (CID 140998826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).