carboniodidoyl cyanoformate

C3INO3 — CID 175561091

IUPACcarboniodidoyl cyanoformate
SMILESN#CC(=O)OC(=O)I
InChIInChI=1S/C3INO3/c4-3(7)8-2(6)1-5
InChIKeyHIEUTBUHHHXTQP-UHFFFAOYSA-N
MW224.94 g/mol
LogP0.61
Rot. Bonds

About carboniodidoyl cyanoformate

carboniodidoyl cyanoformate (PubChem CID 175561091) has the molecular formula C3INO3 and a molecular weight of 224.94 g/mol. Its IUPAC name is carboniodidoyl cyanoformate.

Molecular Properties

Compound Namecarboniodidoyl cyanoformate
PubChem CID175561091
Molecular FormulaC3INO3
Molecular Weight224.94 g/mol
Exact Mass224.89
IUPAC Namecarboniodidoyl cyanoformate
SMILESN#CC(=O)OC(=O)I
InChIInChI=1S/C3INO3/c4-3(7)8-2(6)1-5
InChIKeyHIEUTBUHHHXTQP-UHFFFAOYSA-N
XLogP0.61
TPSA67.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.94
LogP ≤ 50.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'acyl_cyanide', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze carboniodidoyl cyanoformate with MolForge

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

Launch Full Analysis

Related Compounds

carboniodidoyl carboniodidate
CID 24936608
acetyl cyanomethaneperoxoate
CID 158175091
carbonocyanidic acid;ethyl cyanoformate
CID 157482819
azane;cyano dibromoboranylformate
CID 87284124
carbonocyanidic acid;iron
CID 87844648
methyl carboniodidate
CID 87920262
methyl (E)-3-amino-2-cyano-3-iodoprop-2-enoate
CID 5325210
2,2-dicyanoacetyl iodide
CID 147449258
disodium;acetic acid;hydride;1-hydroxyethyl cyanoformate
CID 173459938
(1-ethylcyclopropyl) cyanoformate
CID 57080704
tripotassium;carbonocyanidic acid;hydride
CID 173291553
dicyano (E)-2,3-diethylbut-2-enedioate
CID 74764625

Frequently Asked Questions

What is the IUPAC name of carboniodidoyl cyanoformate?
The IUPAC name of carboniodidoyl cyanoformate (CID 175561091) is carboniodidoyl cyanoformate.
What is the SMILES notation for carboniodidoyl cyanoformate?
The canonical SMILES for carboniodidoyl cyanoformate is N#CC(=O)OC(=O)I.
What is the InChIKey of carboniodidoyl cyanoformate?
The InChIKey is HIEUTBUHHHXTQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3INO3/c4-3(7)8-2(6)1-5.
What are the key properties of carboniodidoyl cyanoformate?
carboniodidoyl cyanoformate has a molecular weight of 224.94 g/mol, XLogP of 0.61, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for carboniodidoyl cyanoformate is sourced from PubChem (CID 175561091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).