cyclobutyl N-iodocarbamate

C5H8INO2 — CID 88906542

IUPACcyclobutyl N-iodocarbamate
SMILESO=C(NI)OC1CCC1
InChIInChI=1S/C5H8INO2/c6-7-5(8)9-4-2-1-3-4/h4H,1-3H2,(H,7,8)
InChIKeyZTJOUSUFLLRODY-UHFFFAOYSA-N
MW241.03 g/mol
LogP1.62
Rot. Bonds1

About cyclobutyl N-iodocarbamate

cyclobutyl N-iodocarbamate (PubChem CID 88906542) has the molecular formula C5H8INO2 and a molecular weight of 241.03 g/mol. Its IUPAC name is cyclobutyl N-iodocarbamate.

Molecular Properties

Compound Namecyclobutyl N-iodocarbamate
PubChem CID88906542
Molecular FormulaC5H8INO2
Molecular Weight241.03 g/mol
Exact Mass240.96
IUPAC Namecyclobutyl N-iodocarbamate
SMILESO=C(NI)OC1CCC1
InChIInChI=1S/C5H8INO2/c6-7-5(8)9-4-2-1-3-4/h4H,1-3H2,(H,7,8)
InChIKeyZTJOUSUFLLRODY-UHFFFAOYSA-N
XLogP1.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.03
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclobutyl N-iodocarbamate?
The IUPAC name of cyclobutyl N-iodocarbamate (CID 88906542) is cyclobutyl N-iodocarbamate.
What is the SMILES notation for cyclobutyl N-iodocarbamate?
The canonical SMILES for cyclobutyl N-iodocarbamate is O=C(NI)OC1CCC1.
What is the InChIKey of cyclobutyl N-iodocarbamate?
The InChIKey is ZTJOUSUFLLRODY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8INO2/c6-7-5(8)9-4-2-1-3-4/h4H,1-3H2,(H,7,8).
What are the key properties of cyclobutyl N-iodocarbamate?
cyclobutyl N-iodocarbamate has a molecular weight of 241.03 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl N-iodocarbamate is sourced from PubChem (CID 88906542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).