N-(iodoiminomethyl)ethanimidoyl cyanide

C4H4IN3 — CID 160664866

IUPACN-(iodoiminomethyl)ethanimidoyl cyanide
SMILESC/C(C#N)=N\C=NI
InChIInChI=1S/C4H4IN3/c1-4(2-6)7-3-8-5/h3H,1H3/b7-4+,8-3?
InChIKeyRMDQYZQERLVGFI-WYLQBADYSA-N
MW221.00 g/mol
LogP1.35
Rot. Bonds1

About N-(iodoiminomethyl)ethanimidoyl cyanide

N-(iodoiminomethyl)ethanimidoyl cyanide (PubChem CID 160664866) has the molecular formula C4H4IN3 and a molecular weight of 221.00 g/mol. Its IUPAC name is N-(iodoiminomethyl)ethanimidoyl cyanide.

Molecular Properties

Compound NameN-(iodoiminomethyl)ethanimidoyl cyanide
PubChem CID160664866
Molecular FormulaC4H4IN3
Molecular Weight221.00 g/mol
Exact Mass220.94
IUPAC NameN-(iodoiminomethyl)ethanimidoyl cyanide
SMILESC/C(C#N)=N\C=NI
InChIInChI=1S/C4H4IN3/c1-4(2-6)7-3-8-5/h3H,1H3/b7-4+,8-3?
InChIKeyRMDQYZQERLVGFI-WYLQBADYSA-N
XLogP1.35
TPSA48.51 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.00
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze N-(iodoiminomethyl)ethanimidoyl cyanide 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 N-(iodoiminomethyl)ethanimidoyl cyanide?
The IUPAC name of N-(iodoiminomethyl)ethanimidoyl cyanide (CID 160664866) is N-(iodoiminomethyl)ethanimidoyl cyanide.
What is the SMILES notation for N-(iodoiminomethyl)ethanimidoyl cyanide?
The canonical SMILES for N-(iodoiminomethyl)ethanimidoyl cyanide is C/C(C#N)=N\C=NI.
What is the InChIKey of N-(iodoiminomethyl)ethanimidoyl cyanide?
The InChIKey is RMDQYZQERLVGFI-WYLQBADYSA-N. The full InChI is InChI=1S/C4H4IN3/c1-4(2-6)7-3-8-5/h3H,1H3/b7-4+,8-3?.
What are the key properties of N-(iodoiminomethyl)ethanimidoyl cyanide?
N-(iodoiminomethyl)ethanimidoyl cyanide has a molecular weight of 221.00 g/mol, XLogP of 1.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(iodoiminomethyl)ethanimidoyl cyanide is sourced from PubChem (CID 160664866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).