4-(iodomethyl)azetidin-2-one

C4H6INO — CID 12560727

IUPAC4-(iodomethyl)azetidin-2-one
SMILESO=C1CC(CI)N1
InChIInChI=1S/C4H6INO/c5-2-3-1-4(7)6-3/h3H,1-2H2,(H,6,7)
InChIKeyQHSNSUAFJJIIQW-UHFFFAOYSA-N
MW211.00 g/mol
LogP0.31
Rot. Bonds1

About 4-(iodomethyl)azetidin-2-one

4-(iodomethyl)azetidin-2-one (PubChem CID 12560727) has the molecular formula C4H6INO and a molecular weight of 211.00 g/mol. Its IUPAC name is 4-(iodomethyl)azetidin-2-one.

Molecular Properties

Compound Name4-(iodomethyl)azetidin-2-one
PubChem CID12560727
Molecular FormulaC4H6INO
Molecular Weight211.00 g/mol
Exact Mass210.95
IUPAC Name4-(iodomethyl)azetidin-2-one
SMILESO=C1CC(CI)N1
InChIInChI=1S/C4H6INO/c5-2-3-1-4(7)6-3/h3H,1-2H2,(H,6,7)
InChIKeyQHSNSUAFJJIIQW-UHFFFAOYSA-N
XLogP0.31
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.00
LogP ≤ 50.31
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'}

Analyze 4-(iodomethyl)azetidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(iodomethyl)azetidin-2-one?
The IUPAC name of 4-(iodomethyl)azetidin-2-one (CID 12560727) is 4-(iodomethyl)azetidin-2-one.
What is the SMILES notation for 4-(iodomethyl)azetidin-2-one?
The canonical SMILES for 4-(iodomethyl)azetidin-2-one is O=C1CC(CI)N1.
What is the InChIKey of 4-(iodomethyl)azetidin-2-one?
The InChIKey is QHSNSUAFJJIIQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6INO/c5-2-3-1-4(7)6-3/h3H,1-2H2,(H,6,7).
What are the key properties of 4-(iodomethyl)azetidin-2-one?
4-(iodomethyl)azetidin-2-one has a molecular weight of 211.00 g/mol, XLogP of 0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(iodomethyl)azetidin-2-one is sourced from PubChem (CID 12560727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).