(prop-1-enylamino) hypoiodite

C3H6INO — CID 126570367

IUPAC(prop-1-enylamino) hypoiodite
SMILESCC=CNOI
InChIInChI=1S/C3H6INO/c1-2-3-5-6-4/h2-3,5H,1H3
InChIKeyLPCZPOYAYJOPDH-UHFFFAOYSA-N
MW198.99 g/mol
LogP1.39
Rot. Bonds2

About (prop-1-enylamino) hypoiodite

(prop-1-enylamino) hypoiodite (PubChem CID 126570367) has the molecular formula C3H6INO and a molecular weight of 198.99 g/mol. Its IUPAC name is (prop-1-enylamino) hypoiodite.

Molecular Properties

Compound Name(prop-1-enylamino) hypoiodite
PubChem CID126570367
Molecular FormulaC3H6INO
Molecular Weight198.99 g/mol
Exact Mass198.95
IUPAC Name(prop-1-enylamino) hypoiodite
SMILESCC=CNOI
InChIInChI=1S/C3H6INO/c1-2-3-5-6-4/h2-3,5H,1H3
InChIKeyLPCZPOYAYJOPDH-UHFFFAOYSA-N
XLogP1.39
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.99
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (prop-1-enylamino) 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 (prop-1-enylamino) hypoiodite?
The IUPAC name of (prop-1-enylamino) hypoiodite (CID 126570367) is (prop-1-enylamino) hypoiodite.
What is the SMILES notation for (prop-1-enylamino) hypoiodite?
The canonical SMILES for (prop-1-enylamino) hypoiodite is CC=CNOI.
What is the InChIKey of (prop-1-enylamino) hypoiodite?
The InChIKey is LPCZPOYAYJOPDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6INO/c1-2-3-5-6-4/h2-3,5H,1H3.
What are the key properties of (prop-1-enylamino) hypoiodite?
(prop-1-enylamino) hypoiodite has a molecular weight of 198.99 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (prop-1-enylamino) hypoiodite is sourced from PubChem (CID 126570367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).