3-iodo-1-(2-methylprop-2-enyl)azetidin-2-one

C7H10INO — CID 134856191

IUPAC3-iodo-1-(2-methylprop-2-enyl)azetidin-2-one
SMILESC=C(C)CN1CC(I)C1=O
InChIInChI=1S/C7H10INO/c1-5(2)3-9-4-6(8)7(9)10/h6H,1,3-4H2,2H3
InChIKeyRNTIBKPIGRJMIS-UHFFFAOYSA-N
MW251.07 g/mol
LogP1.21
Rot. Bonds2

About 3-iodo-1-(2-methylprop-2-enyl)azetidin-2-one

3-iodo-1-(2-methylprop-2-enyl)azetidin-2-one (PubChem CID 134856191) has the molecular formula C7H10INO and a molecular weight of 251.07 g/mol. Its IUPAC name is 3-iodo-1-(2-methylprop-2-enyl)azetidin-2-one.

Molecular Properties

Compound Name3-iodo-1-(2-methylprop-2-enyl)azetidin-2-one
PubChem CID134856191
Molecular FormulaC7H10INO
Molecular Weight251.07 g/mol
Exact Mass250.98
IUPAC Name3-iodo-1-(2-methylprop-2-enyl)azetidin-2-one
SMILESC=C(C)CN1CC(I)C1=O
InChIInChI=1S/C7H10INO/c1-5(2)3-9-4-6(8)7(9)10/h6H,1,3-4H2,2H3
InChIKeyRNTIBKPIGRJMIS-UHFFFAOYSA-N
XLogP1.21
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.07
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-iodo-1-(2-methylprop-2-enyl)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 3-iodo-1-(2-methylprop-2-enyl)azetidin-2-one?
The IUPAC name of 3-iodo-1-(2-methylprop-2-enyl)azetidin-2-one (CID 134856191) is 3-iodo-1-(2-methylprop-2-enyl)azetidin-2-one.
What is the SMILES notation for 3-iodo-1-(2-methylprop-2-enyl)azetidin-2-one?
The canonical SMILES for 3-iodo-1-(2-methylprop-2-enyl)azetidin-2-one is C=C(C)CN1CC(I)C1=O.
What is the InChIKey of 3-iodo-1-(2-methylprop-2-enyl)azetidin-2-one?
The InChIKey is RNTIBKPIGRJMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10INO/c1-5(2)3-9-4-6(8)7(9)10/h6H,1,3-4H2,2H3.
What are the key properties of 3-iodo-1-(2-methylprop-2-enyl)azetidin-2-one?
3-iodo-1-(2-methylprop-2-enyl)azetidin-2-one has a molecular weight of 251.07 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-iodo-1-(2-methylprop-2-enyl)azetidin-2-one is sourced from PubChem (CID 134856191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).