2-imino-N'-[(Z)-2-iodoethenyl]ethanimidamide

C4H6IN3 — CID 118189668

IUPAC2-imino-N'-[(Z)-2-iodoethenyl]ethanimidamide
SMILES[H]/N=C/C(N)=N/C=C\I
InChIInChI=1S/C4H6IN3/c5-1-2-8-4(7)3-6/h1-3,6H,(H2,7,8)/b2-1-,6-3+
InChIKeyUGIOINMEJMIDPP-HFMRILIHSA-N
MW223.02 g/mol
LogP0.90
Rot. Bonds2

About 2-imino-N'-[(Z)-2-iodoethenyl]ethanimidamide

2-imino-N'-[(Z)-2-iodoethenyl]ethanimidamide (PubChem CID 118189668) has the molecular formula C4H6IN3 and a molecular weight of 223.02 g/mol. Its IUPAC name is 2-imino-N'-[(Z)-2-iodoethenyl]ethanimidamide.

Molecular Properties

Compound Name2-imino-N'-[(Z)-2-iodoethenyl]ethanimidamide
PubChem CID118189668
Molecular FormulaC4H6IN3
Molecular Weight223.02 g/mol
Exact Mass222.96
IUPAC Name2-imino-N'-[(Z)-2-iodoethenyl]ethanimidamide
SMILES[H]/N=C/C(N)=N/C=C\I
InChIInChI=1S/C4H6IN3/c5-1-2-8-4(7)3-6/h1-3,6H,(H2,7,8)/b2-1-,6-3+
InChIKeyUGIOINMEJMIDPP-HFMRILIHSA-N
XLogP0.90
TPSA62.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 50.90
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-imino-N'-[(Z)-2-iodoethenyl]ethanimidamide?
The IUPAC name of 2-imino-N'-[(Z)-2-iodoethenyl]ethanimidamide (CID 118189668) is 2-imino-N'-[(Z)-2-iodoethenyl]ethanimidamide.
What is the SMILES notation for 2-imino-N'-[(Z)-2-iodoethenyl]ethanimidamide?
The canonical SMILES for 2-imino-N'-[(Z)-2-iodoethenyl]ethanimidamide is [H]/N=C/C(N)=N/C=C\I.
What is the InChIKey of 2-imino-N'-[(Z)-2-iodoethenyl]ethanimidamide?
The InChIKey is UGIOINMEJMIDPP-HFMRILIHSA-N. The full InChI is InChI=1S/C4H6IN3/c5-1-2-8-4(7)3-6/h1-3,6H,(H2,7,8)/b2-1-,6-3+.
What are the key properties of 2-imino-N'-[(Z)-2-iodoethenyl]ethanimidamide?
2-imino-N'-[(Z)-2-iodoethenyl]ethanimidamide has a molecular weight of 223.02 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-N'-[(Z)-2-iodoethenyl]ethanimidamide is sourced from PubChem (CID 118189668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).