1-(2-hydroxypyrrolidin-1-yl)-2-iodoethanone

C6H10INO2 — CID 154992975

IUPAC1-(2-hydroxypyrrolidin-1-yl)-2-iodoethanone
SMILESO=C(CI)N1CCCC1O
InChIInChI=1S/C6H10INO2/c7-4-6(10)8-3-1-2-5(8)9/h5,9H,1-4H2
InChIKeyYQLGUTCPLGXMGE-UHFFFAOYSA-N
MW255.05 g/mol
LogP0.36
Rot. Bonds1

About 1-(2-hydroxypyrrolidin-1-yl)-2-iodoethanone

1-(2-hydroxypyrrolidin-1-yl)-2-iodoethanone (PubChem CID 154992975) has the molecular formula C6H10INO2 and a molecular weight of 255.05 g/mol. Its IUPAC name is 1-(2-hydroxypyrrolidin-1-yl)-2-iodoethanone.

Molecular Properties

Compound Name1-(2-hydroxypyrrolidin-1-yl)-2-iodoethanone
PubChem CID154992975
Molecular FormulaC6H10INO2
Molecular Weight255.05 g/mol
Exact Mass254.98
IUPAC Name1-(2-hydroxypyrrolidin-1-yl)-2-iodoethanone
SMILESO=C(CI)N1CCCC1O
InChIInChI=1S/C6H10INO2/c7-4-6(10)8-3-1-2-5(8)9/h5,9H,1-4H2
InChIKeyYQLGUTCPLGXMGE-UHFFFAOYSA-N
XLogP0.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.05
LogP ≤ 50.36
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-(2-iodoacetyl)pyrrolidine-2-carbonitrile
CID 67599806
1-(2-hydroxypiperidin-1-yl)ethanone
CID 70448488
2-hydroxypiperidine-1-carboxylic acid;hydrochloride
CID 178068462
(2-hydroxypiperidin-1-yl)-phenylmethanone
CID 14920288
2-[(2S)-2-hydroxypyrrolidin-1-yl]acetic acid
CID 42614535
2-amino-1-[(2R)-2-isocyanopyrrolidin-1-yl]ethanone
CID 59151521
1-(2-acetylpyrrolidin-1-yl)-2-aminoethanone;ethane
CID 166119423
2-iodo-1-[3-(methoxymethyl)piperidin-1-yl]ethanone
CID 143842263
tert-butyl 2-hydroxypiperidine-1-carboxylate
CID 10655694
2-(hydroxymethyl)pyrrolidine-1-carboperoxoic acid
CID 23110559
1,4-bis(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)butane-1,4-dione
CID 66795041
[2-[(2S)-2-methylpyrrolidin-1-yl]-2-oxoethyl] acetate
CID 71416331

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxypyrrolidin-1-yl)-2-iodoethanone?
The IUPAC name of 1-(2-hydroxypyrrolidin-1-yl)-2-iodoethanone (CID 154992975) is 1-(2-hydroxypyrrolidin-1-yl)-2-iodoethanone.
What is the SMILES notation for 1-(2-hydroxypyrrolidin-1-yl)-2-iodoethanone?
The canonical SMILES for 1-(2-hydroxypyrrolidin-1-yl)-2-iodoethanone is O=C(CI)N1CCCC1O.
What is the InChIKey of 1-(2-hydroxypyrrolidin-1-yl)-2-iodoethanone?
The InChIKey is YQLGUTCPLGXMGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO2/c7-4-6(10)8-3-1-2-5(8)9/h5,9H,1-4H2.
What are the key properties of 1-(2-hydroxypyrrolidin-1-yl)-2-iodoethanone?
1-(2-hydroxypyrrolidin-1-yl)-2-iodoethanone has a molecular weight of 255.05 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxypyrrolidin-1-yl)-2-iodoethanone is sourced from PubChem (CID 154992975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).