(3-iodocyclobutyl) carbamate

C5H8INO2 — CID 175447577

IUPAC(3-iodocyclobutyl) carbamate
SMILESNC(=O)OC1CC(I)C1
InChIInChI=1S/C5H8INO2/c6-3-1-4(2-3)9-5(7)8/h3-4H,1-2H2,(H2,7,8)
InChIKeyZWDLJRNMOVLHAQ-UHFFFAOYSA-N
MW241.03 g/mol
LogP1.05
Rot. Bonds1

About (3-iodocyclobutyl) carbamate

(3-iodocyclobutyl) carbamate (PubChem CID 175447577) has the molecular formula C5H8INO2 and a molecular weight of 241.03 g/mol. Its IUPAC name is (3-iodocyclobutyl) carbamate.

Molecular Properties

Compound Name(3-iodocyclobutyl) carbamate
PubChem CID175447577
Molecular FormulaC5H8INO2
Molecular Weight241.03 g/mol
Exact Mass240.96
IUPAC Name(3-iodocyclobutyl) carbamate
SMILESNC(=O)OC1CC(I)C1
InChIInChI=1S/C5H8INO2/c6-3-1-4(2-3)9-5(7)8/h3-4H,1-2H2,(H2,7,8)
InChIKeyZWDLJRNMOVLHAQ-UHFFFAOYSA-N
XLogP1.05
TPSA52.32 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 ≤ 51.05
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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Frequently Asked Questions

What is the IUPAC name of (3-iodocyclobutyl) carbamate?
The IUPAC name of (3-iodocyclobutyl) carbamate (CID 175447577) is (3-iodocyclobutyl) carbamate.
What is the SMILES notation for (3-iodocyclobutyl) carbamate?
The canonical SMILES for (3-iodocyclobutyl) carbamate is NC(=O)OC1CC(I)C1.
What is the InChIKey of (3-iodocyclobutyl) carbamate?
The InChIKey is ZWDLJRNMOVLHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8INO2/c6-3-1-4(2-3)9-5(7)8/h3-4H,1-2H2,(H2,7,8).
What are the key properties of (3-iodocyclobutyl) carbamate?
(3-iodocyclobutyl) carbamate has a molecular weight of 241.03 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-iodocyclobutyl) carbamate is sourced from PubChem (CID 175447577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).