1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-iodoethanone

C8H14INO2 — CID 89037150

IUPAC1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-iodoethanone
SMILESCC(C)(O)C1CN(C(=O)CI)C1
InChIInChI=1S/C8H14INO2/c1-8(2,12)6-4-10(5-6)7(11)3-9/h6,12H,3-5H2,1-2H3
InChIKeyKIBLGWWVZHYOMA-UHFFFAOYSA-N
MW283.11 g/mol
LogP0.65
Rot. Bonds2

About 1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-iodoethanone

1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-iodoethanone (PubChem CID 89037150) has the molecular formula C8H14INO2 and a molecular weight of 283.11 g/mol. Its IUPAC name is 1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-iodoethanone.

Molecular Properties

Compound Name1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-iodoethanone
PubChem CID89037150
Molecular FormulaC8H14INO2
Molecular Weight283.11 g/mol
Exact Mass283.01
IUPAC Name1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-iodoethanone
SMILESCC(C)(O)C1CN(C(=O)CI)C1
InChIInChI=1S/C8H14INO2/c1-8(2,12)6-4-10(5-6)7(11)3-9/h6,12H,3-5H2,1-2H3
InChIKeyKIBLGWWVZHYOMA-UHFFFAOYSA-N
XLogP0.65
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.11
LogP ≤ 50.65
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-hydroxyazetidin-1-yl)-2-iodoethanone
CID 89036981
N-[2-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-oxoethyl]-N-methylmethanesulfonamide
CID 136534158
1-[3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-3-methylbutan-1-one
CID 165439664
1-[3-(2-hydroxypropan-2-yl)piperidin-1-yl]butan-1-one
CID 165439552
(2S)-1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-methylsulfanylpropan-1-one
CID 99778456
(3S,4S)-1-(3,3-dimethylbutanoyl)-4-methylpyrrolidine-3-carboxamide
CID 128984219
3-(3-tert-butylazetidin-1-yl)-3-oxopropanenitrile
CID 58394899
1-(3-ethylpyrrolidin-1-yl)-2-iodoethanone
CID 134471128
N-[1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-1-oxopropan-2-yl]-2,2-dimethylpropanamide
CID 136534159
1-[(3S)-3-(2-hydroxypropan-2-yl)pyrrolidin-1-yl]-2-pyridin-4-ylethanone
CID 99929054
tert-butyl 3-(2-hydroxypropan-2-yl)piperidine-1-carboxylate
CID 68596422
4-(2-hydroxypropan-2-yl)piperidine-1-carboxylic acid
CID 91225610

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-iodoethanone?
The IUPAC name of 1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-iodoethanone (CID 89037150) is 1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-iodoethanone.
What is the SMILES notation for 1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-iodoethanone?
The canonical SMILES for 1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-iodoethanone is CC(C)(O)C1CN(C(=O)CI)C1.
What is the InChIKey of 1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-iodoethanone?
The InChIKey is KIBLGWWVZHYOMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14INO2/c1-8(2,12)6-4-10(5-6)7(11)3-9/h6,12H,3-5H2,1-2H3.
What are the key properties of 1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-iodoethanone?
1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-iodoethanone has a molecular weight of 283.11 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-hydroxypropan-2-yl)azetidin-1-yl]-2-iodoethanone is sourced from PubChem (CID 89037150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).