N'-ethenyl-N-ethylidenecarbamimidoyl iodide

C5H7IN2 — CID 174138559

IUPACN'-ethenyl-N-ethylidenecarbamimidoyl iodide
SMILESC=C/N=C(\I)N=CC
InChIInChI=1S/C5H7IN2/c1-3-7-5(6)8-4-2/h3-4H,1H2,2H3/b7-5+,8-4?
InChIKeyALMBVLRRIZTILH-NSLJVHTKSA-N
MW222.03 g/mol
LogP2.01
Rot. Bonds1

About N'-ethenyl-N-ethylidenecarbamimidoyl iodide

N'-ethenyl-N-ethylidenecarbamimidoyl iodide (PubChem CID 174138559) has the molecular formula C5H7IN2 and a molecular weight of 222.03 g/mol. Its IUPAC name is N'-ethenyl-N-ethylidenecarbamimidoyl iodide.

Molecular Properties

Compound NameN'-ethenyl-N-ethylidenecarbamimidoyl iodide
PubChem CID174138559
Molecular FormulaC5H7IN2
Molecular Weight222.03 g/mol
Exact Mass221.97
IUPAC NameN'-ethenyl-N-ethylidenecarbamimidoyl iodide
SMILESC=C/N=C(\I)N=CC
InChIInChI=1S/C5H7IN2/c1-3-7-5(6)8-4-2/h3-4H,1H2,2H3/b7-5+,8-4?
InChIKeyALMBVLRRIZTILH-NSLJVHTKSA-N
XLogP2.01
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.03
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-ethenyl-N-ethylidenecarbamimidoyl iodide?
The IUPAC name of N'-ethenyl-N-ethylidenecarbamimidoyl iodide (CID 174138559) is N'-ethenyl-N-ethylidenecarbamimidoyl iodide.
What is the SMILES notation for N'-ethenyl-N-ethylidenecarbamimidoyl iodide?
The canonical SMILES for N'-ethenyl-N-ethylidenecarbamimidoyl iodide is C=C/N=C(\I)N=CC.
What is the InChIKey of N'-ethenyl-N-ethylidenecarbamimidoyl iodide?
The InChIKey is ALMBVLRRIZTILH-NSLJVHTKSA-N. The full InChI is InChI=1S/C5H7IN2/c1-3-7-5(6)8-4-2/h3-4H,1H2,2H3/b7-5+,8-4?.
What are the key properties of N'-ethenyl-N-ethylidenecarbamimidoyl iodide?
N'-ethenyl-N-ethylidenecarbamimidoyl iodide has a molecular weight of 222.03 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethenyl-N-ethylidenecarbamimidoyl iodide is sourced from PubChem (CID 174138559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).