(1,3-diiodopropan-2-ylideneamino) hypoiodite

C3H4I3NO — CID 139438555

IUPAC(1,3-diiodopropan-2-ylideneamino) hypoiodite
SMILESICC(CI)=NOI
InChIInChI=1S/C3H4I3NO/c4-1-3(2-5)7-8-6/h1-2H2
InChIKeyHTCBOLNVUVCIRM-UHFFFAOYSA-N
MW450.78 g/mol
LogP2.58
Rot. Bonds3

About (1,3-diiodopropan-2-ylideneamino) hypoiodite

(1,3-diiodopropan-2-ylideneamino) hypoiodite (PubChem CID 139438555) has the molecular formula C3H4I3NO and a molecular weight of 450.78 g/mol. Its IUPAC name is (1,3-diiodopropan-2-ylideneamino) hypoiodite.

Molecular Properties

Compound Name(1,3-diiodopropan-2-ylideneamino) hypoiodite
PubChem CID139438555
Molecular FormulaC3H4I3NO
Molecular Weight450.78 g/mol
Exact Mass450.74
IUPAC Name(1,3-diiodopropan-2-ylideneamino) hypoiodite
SMILESICC(CI)=NOI
InChIInChI=1S/C3H4I3NO/c4-1-3(2-5)7-8-6/h1-2H2
InChIKeyHTCBOLNVUVCIRM-UHFFFAOYSA-N
XLogP2.58
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.78
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (1,3-diiodopropan-2-ylideneamino) hypoiodite 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 (1,3-diiodopropan-2-ylideneamino) hypoiodite?
The IUPAC name of (1,3-diiodopropan-2-ylideneamino) hypoiodite (CID 139438555) is (1,3-diiodopropan-2-ylideneamino) hypoiodite.
What is the SMILES notation for (1,3-diiodopropan-2-ylideneamino) hypoiodite?
The canonical SMILES for (1,3-diiodopropan-2-ylideneamino) hypoiodite is ICC(CI)=NOI.
What is the InChIKey of (1,3-diiodopropan-2-ylideneamino) hypoiodite?
The InChIKey is HTCBOLNVUVCIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H4I3NO/c4-1-3(2-5)7-8-6/h1-2H2.
What are the key properties of (1,3-diiodopropan-2-ylideneamino) hypoiodite?
(1,3-diiodopropan-2-ylideneamino) hypoiodite has a molecular weight of 450.78 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-diiodopropan-2-ylideneamino) hypoiodite is sourced from PubChem (CID 139438555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).