1-(3-hydroxyazetidin-1-yl)-2-iodoethanone

C5H8INO2 — CID 89036981

IUPAC1-(3-hydroxyazetidin-1-yl)-2-iodoethanone
SMILESO=C(CI)N1CC(O)C1
InChIInChI=1S/C5H8INO2/c6-1-5(9)7-2-4(8)3-7/h4,8H,1-3H2
InChIKeyVAHSBMDQPVAFQD-UHFFFAOYSA-N
MW241.03 g/mol
LogP-0.38
Rot. Bonds1

About 1-(3-hydroxyazetidin-1-yl)-2-iodoethanone

1-(3-hydroxyazetidin-1-yl)-2-iodoethanone (PubChem CID 89036981) has the molecular formula C5H8INO2 and a molecular weight of 241.03 g/mol. Its IUPAC name is 1-(3-hydroxyazetidin-1-yl)-2-iodoethanone.

Molecular Properties

Compound Name1-(3-hydroxyazetidin-1-yl)-2-iodoethanone
PubChem CID89036981
Molecular FormulaC5H8INO2
Molecular Weight241.03 g/mol
Exact Mass240.96
IUPAC Name1-(3-hydroxyazetidin-1-yl)-2-iodoethanone
SMILESO=C(CI)N1CC(O)C1
InChIInChI=1S/C5H8INO2/c6-1-5(9)7-2-4(8)3-7/h4,8H,1-3H2
InChIKeyVAHSBMDQPVAFQD-UHFFFAOYSA-N
XLogP-0.38
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.03
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-iodoethanone
CID 89037150
3-amino-1-(3-hydroxyazetidin-1-yl)propan-1-one
CID 53409663
2-(1-aminocyclobutyl)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 107217667
1-(3-hydroxyazetidin-1-yl)nonan-1-one
CID 63105492
1-(3-hydroxyazetidin-1-yl)dodecan-1-one
CID 65428081
7-amino-1-(3-hydroxyazetidin-1-yl)heptan-1-one
CID 107217559
N-[2-(3-hydroxyazetidin-1-yl)-2-oxoethyl]-N-methylacetamide
CID 63105671
2-(tert-butylamino)-1-(3-hydroxyazetidin-1-yl)ethanone
CID 103782621
1-(3-hydroxyazetidin-1-yl)-3,4,4-trimethylpentan-1-one
CID 63832597
N-[3-(3-hydroxyazetidin-1-yl)-3-oxopropyl]acetamide
CID 63107332
1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone
CID 134471128
4-amino-1-(3-hydroxyazetidin-1-yl)-4-methylpentan-1-one
CID 107217564

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyazetidin-1-yl)-2-iodoethanone?
The IUPAC name of 1-(3-hydroxyazetidin-1-yl)-2-iodoethanone (CID 89036981) is 1-(3-hydroxyazetidin-1-yl)-2-iodoethanone.
What is the SMILES notation for 1-(3-hydroxyazetidin-1-yl)-2-iodoethanone?
The canonical SMILES for 1-(3-hydroxyazetidin-1-yl)-2-iodoethanone is O=C(CI)N1CC(O)C1.
What is the InChIKey of 1-(3-hydroxyazetidin-1-yl)-2-iodoethanone?
The InChIKey is VAHSBMDQPVAFQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8INO2/c6-1-5(9)7-2-4(8)3-7/h4,8H,1-3H2.
What are the key properties of 1-(3-hydroxyazetidin-1-yl)-2-iodoethanone?
1-(3-hydroxyazetidin-1-yl)-2-iodoethanone has a molecular weight of 241.03 g/mol, XLogP of -0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyazetidin-1-yl)-2-iodoethanone is sourced from PubChem (CID 89036981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).