1-iodocyclobutane-1-carboxylic acid

C5H7IO2 — CID 14143344

IUPAC1-iodocyclobutane-1-carboxylic acid
SMILESO=C(O)C1(I)CCC1
InChIInChI=1S/C5H7IO2/c6-5(4(7)8)2-1-3-5/h1-3H2,(H,7,8)
InChIKeyJMXUCGYDVUMUKE-UHFFFAOYSA-N
MW226.01 g/mol
LogP1.43
Rot. Bonds1

About 1-iodocyclobutane-1-carboxylic acid

1-iodocyclobutane-1-carboxylic acid (PubChem CID 14143344) has the molecular formula C5H7IO2 and a molecular weight of 226.01 g/mol. Its IUPAC name is 1-iodocyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-iodocyclobutane-1-carboxylic acid
PubChem CID14143344
Molecular FormulaC5H7IO2
Molecular Weight226.01 g/mol
Exact Mass225.95
IUPAC Name1-iodocyclobutane-1-carboxylic acid
SMILESO=C(O)C1(I)CCC1
InChIInChI=1S/C5H7IO2/c6-5(4(7)8)2-1-3-5/h1-3H2,(H,7,8)
InChIKeyJMXUCGYDVUMUKE-UHFFFAOYSA-N
XLogP1.43
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.01
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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1-(iodomethyl)cyclobutane-1-carboxylic acid
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azane;cyclobutane-1,1-dicarboxylic acid;methane;platinum
CID 161144544
1-aminocyclobutane-1-carboxylic acid;1-aminocyclopropane-1-carboxylic acid
CID 71060763
cis-(1S,2R)-1,2-dichlorocyclobutane-1,2-dicarboxylic acid
CID 130618268
9-oxobicyclo[3.3.1]nonane-1,5-dicarboxylic acid
CID 91401629
cyclopentane-1,1-dicarboxylic acid;dihydrobromide
CID 90449229
cyclooctane-1,1-dicarboxylic acid
CID 18521139
cyclohexane-1,1-dicarboxylic acid
CID 70539849
cyclotritriacontane-1,1,12,12,23,23-hexacarboxylic acid
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(1S)-1,2,2-trimethylcyclopentane-1-carboxylic acid
CID 11805005

Frequently Asked Questions

What is the IUPAC name of 1-iodocyclobutane-1-carboxylic acid?
The IUPAC name of 1-iodocyclobutane-1-carboxylic acid (CID 14143344) is 1-iodocyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-iodocyclobutane-1-carboxylic acid?
The canonical SMILES for 1-iodocyclobutane-1-carboxylic acid is O=C(O)C1(I)CCC1.
What is the InChIKey of 1-iodocyclobutane-1-carboxylic acid?
The InChIKey is JMXUCGYDVUMUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7IO2/c6-5(4(7)8)2-1-3-5/h1-3H2,(H,7,8).
What are the key properties of 1-iodocyclobutane-1-carboxylic acid?
1-iodocyclobutane-1-carboxylic acid has a molecular weight of 226.01 g/mol, XLogP of 1.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-iodocyclobutane-1-carboxylic acid is sourced from PubChem (CID 14143344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).