N-ethanimidoyl-N'-ethenylcarbamimidoyl iodide

C5H8IN3 — CID 176545674

IUPACN-ethanimidoyl-N'-ethenylcarbamimidoyl iodide
SMILES[H]/N=C(\C)N/C(I)=N/C=C
InChIInChI=1S/C5H8IN3/c1-3-8-5(6)9-4(2)7/h3H,1H2,2H3,(H2,7,8,9)
InChIKeyGIBLGJMMANDPMM-UHFFFAOYSA-N
MW237.04 g/mol
LogP1.51
Rot. Bonds1

About N-ethanimidoyl-N'-ethenylcarbamimidoyl iodide

N-ethanimidoyl-N'-ethenylcarbamimidoyl iodide (PubChem CID 176545674) has the molecular formula C5H8IN3 and a molecular weight of 237.04 g/mol. Its IUPAC name is N-ethanimidoyl-N'-ethenylcarbamimidoyl iodide.

Molecular Properties

Compound NameN-ethanimidoyl-N'-ethenylcarbamimidoyl iodide
PubChem CID176545674
Molecular FormulaC5H8IN3
Molecular Weight237.04 g/mol
Exact Mass236.98
IUPAC NameN-ethanimidoyl-N'-ethenylcarbamimidoyl iodide
SMILES[H]/N=C(\C)N/C(I)=N/C=C
InChIInChI=1S/C5H8IN3/c1-3-8-5(6)9-4(2)7/h3H,1H2,2H3,(H2,7,8,9)
InChIKeyGIBLGJMMANDPMM-UHFFFAOYSA-N
XLogP1.51
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.04
LogP ≤ 51.51
H-Bond Donors ≤ 52
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-ethanimidoyl-N'-ethenylcarbamimidoyl iodide?
The IUPAC name of N-ethanimidoyl-N'-ethenylcarbamimidoyl iodide (CID 176545674) is N-ethanimidoyl-N'-ethenylcarbamimidoyl iodide.
What is the SMILES notation for N-ethanimidoyl-N'-ethenylcarbamimidoyl iodide?
The canonical SMILES for N-ethanimidoyl-N'-ethenylcarbamimidoyl iodide is [H]/N=C(\C)N/C(I)=N/C=C.
What is the InChIKey of N-ethanimidoyl-N'-ethenylcarbamimidoyl iodide?
The InChIKey is GIBLGJMMANDPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8IN3/c1-3-8-5(6)9-4(2)7/h3H,1H2,2H3,(H2,7,8,9).
What are the key properties of N-ethanimidoyl-N'-ethenylcarbamimidoyl iodide?
N-ethanimidoyl-N'-ethenylcarbamimidoyl iodide has a molecular weight of 237.04 g/mol, XLogP of 1.51, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethanimidoyl-N'-ethenylcarbamimidoyl iodide is sourced from PubChem (CID 176545674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).