trans-(1R,2R)-2-hydroxy-4-oxocyclopentane-1-carbonyl iodide

C6H7IO3 — CID 163739346

IUPACtrans-(1R,2R)-2-hydroxy-4-oxocyclopentane-1-carbonyl iodide
SMILESO=C1C[C@@H](O)[C@H](C(=O)I)C1
InChIInChI=1S/C6H7IO3/c7-6(10)4-1-3(8)2-5(4)9/h4-5,9H,1-2H2/t4-,5-/m1/s1
InChIKeyLGKFVKCXKFMJOB-RFZPGFLSSA-N
MW254.02 g/mol
LogP0.29
Rot. Bonds1

About trans-(1R,2R)-2-hydroxy-4-oxocyclopentane-1-carbonyl iodide

trans-(1R,2R)-2-hydroxy-4-oxocyclopentane-1-carbonyl iodide (PubChem CID 163739346) has the molecular formula C6H7IO3 and a molecular weight of 254.02 g/mol. Its IUPAC name is trans-(1R,2R)-2-hydroxy-4-oxocyclopentane-1-carbonyl iodide.

Molecular Properties

Compound Nametrans-(1R,2R)-2-hydroxy-4-oxocyclopentane-1-carbonyl iodide
PubChem CID163739346
Molecular FormulaC6H7IO3
Molecular Weight254.02 g/mol
Exact Mass253.94
IUPAC Nametrans-(1R,2R)-2-hydroxy-4-oxocyclopentane-1-carbonyl iodide
SMILESO=C1C[C@@H](O)[C@H](C(=O)I)C1
InChIInChI=1S/C6H7IO3/c7-6(10)4-1-3(8)2-5(4)9/h4-5,9H,1-2H2/t4-,5-/m1/s1
InChIKeyLGKFVKCXKFMJOB-RFZPGFLSSA-N
XLogP0.29
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.02
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-ethanimidoyl-4-hydroxycyclopentan-1-one
CID 123651904
cis-(1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
CID 27443852
2-acetyl-4-oxocyclopentane-1-carboxylic acid
CID 123330818
cis-(3S,5R)-3,5-dihydroxycyclohexan-1-one
CID 124561770
(2R)-5-oxopyrrolidine-2-carbonyl iodide
CID 89494882
cis-diethyl (1S,2R)-4-oxocyclopentane-1,2-dicarboxylate
CID 26967535
(1S,5S,6R)-6-hydroxy-8-azabicyclo[3.2.1]octan-3-one
CID 131000469
2-fluorocyclopropane-1-carbonyl iodide
CID 118532290
(3aS,7aS)-1,3,3a,4,7,7a-hexahydroinden-2-one
CID 11029897
(1R,5R,6S,7R)-6,7-dihydroxy-8-methyl-8-azabicyclo[3.2.1]octan-3-one
CID 98398544
4-oxopiperidine-2,6-dicarboxamide
CID 78315101
trans-(1R,2R)-2-methoxycarbonyl-4-oxocyclopentane-1-carboxylic acid
CID 118988969

Frequently Asked Questions

What is the IUPAC name of trans-(1R,2R)-2-hydroxy-4-oxocyclopentane-1-carbonyl iodide?
The IUPAC name of trans-(1R,2R)-2-hydroxy-4-oxocyclopentane-1-carbonyl iodide (CID 163739346) is trans-(1R,2R)-2-hydroxy-4-oxocyclopentane-1-carbonyl iodide.
What is the SMILES notation for trans-(1R,2R)-2-hydroxy-4-oxocyclopentane-1-carbonyl iodide?
The canonical SMILES for trans-(1R,2R)-2-hydroxy-4-oxocyclopentane-1-carbonyl iodide is O=C1C[C@@H](O)[C@H](C(=O)I)C1.
What is the InChIKey of trans-(1R,2R)-2-hydroxy-4-oxocyclopentane-1-carbonyl iodide?
The InChIKey is LGKFVKCXKFMJOB-RFZPGFLSSA-N. The full InChI is InChI=1S/C6H7IO3/c7-6(10)4-1-3(8)2-5(4)9/h4-5,9H,1-2H2/t4-,5-/m1/s1.
What are the key properties of trans-(1R,2R)-2-hydroxy-4-oxocyclopentane-1-carbonyl iodide?
trans-(1R,2R)-2-hydroxy-4-oxocyclopentane-1-carbonyl iodide has a molecular weight of 254.02 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,2R)-2-hydroxy-4-oxocyclopentane-1-carbonyl iodide is sourced from PubChem (CID 163739346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).