3-hydroxy-3-iodocyclopentan-1-one

C5H7IO2 — CID 163780598

IUPAC3-hydroxy-3-iodocyclopentan-1-one
SMILESO=C1CCC(O)(I)C1
InChIInChI=1S/C5H7IO2/c6-5(8)2-1-4(7)3-5/h8H,1-3H2
InChIKeyMOGJSKZTOZTWQX-UHFFFAOYSA-N
MW226.01 g/mol
LogP0.86
Rot. Bonds

About 3-hydroxy-3-iodocyclopentan-1-one

3-hydroxy-3-iodocyclopentan-1-one (PubChem CID 163780598) has the molecular formula C5H7IO2 and a molecular weight of 226.01 g/mol. Its IUPAC name is 3-hydroxy-3-iodocyclopentan-1-one.

Molecular Properties

Compound Name3-hydroxy-3-iodocyclopentan-1-one
PubChem CID163780598
Molecular FormulaC5H7IO2
Molecular Weight226.01 g/mol
Exact Mass225.95
IUPAC Name3-hydroxy-3-iodocyclopentan-1-one
SMILESO=C1CCC(O)(I)C1
InChIInChI=1S/C5H7IO2/c6-5(8)2-1-4(7)3-5/h8H,1-3H2
InChIKeyMOGJSKZTOZTWQX-UHFFFAOYSA-N
XLogP0.86
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.01
LogP ≤ 50.86
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

(3R)-3-iodo-3-methylcyclohexan-1-one
CID 165020728
(1R)-1-methyl-3-oxocyclopentane-1-carbaldehyde
CID 11007903
1-hydroxy-3-oxocyclohexane-1-carboxylic acid
CID 85203947
3-hydroxy-3-methylcyclopentadecan-1-one
CID 11311367
oxalic acid;spiro[4.5]decan-3-one
CID 162309193
spiro[3.5]nonane-2,7-dione
CID 130028978
3,3-dihydroxycyclobutan-1-one
CID 151007569
4,4-difluoro-3,3-dimethylcyclohexan-1-one
CID 156528016
1-oxaspiro[4.4]nonane-2,8-dione
CID 68731112
spiro[4.6]undecan-10-one
CID 15638085
1-hydroxy-1-azaspiro[3.5]nonane-2,7-dione
CID 141129975
4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one
CID 79189483

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-3-iodocyclopentan-1-one?
The IUPAC name of 3-hydroxy-3-iodocyclopentan-1-one (CID 163780598) is 3-hydroxy-3-iodocyclopentan-1-one.
What is the SMILES notation for 3-hydroxy-3-iodocyclopentan-1-one?
The canonical SMILES for 3-hydroxy-3-iodocyclopentan-1-one is O=C1CCC(O)(I)C1.
What is the InChIKey of 3-hydroxy-3-iodocyclopentan-1-one?
The InChIKey is MOGJSKZTOZTWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IO2/c6-5(8)2-1-4(7)3-5/h8H,1-3H2.
What are the key properties of 3-hydroxy-3-iodocyclopentan-1-one?
3-hydroxy-3-iodocyclopentan-1-one has a molecular weight of 226.01 g/mol, XLogP of 0.86, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-3-iodocyclopentan-1-one is sourced from PubChem (CID 163780598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).