N-[(Z)-2-diazenylprop-1-enyl]methanimidoyl iodide

C4H6IN3 — CID 89299639

IUPACN-[(Z)-2-diazenylprop-1-enyl]methanimidoyl iodide
SMILES[H]/N=N/C(C)=C\N=C\I
InChIInChI=1S/C4H6IN3/c1-4(8-6)2-7-3-5/h2-3,6H,1H3/b4-2-,7-3+,8-6+
InChIKeyZYABJOCYCNNETG-UIQMPFEESA-N
MW223.02 g/mol
LogP2.34
Rot. Bonds2

About N-[(Z)-2-diazenylprop-1-enyl]methanimidoyl iodide

N-[(Z)-2-diazenylprop-1-enyl]methanimidoyl iodide (PubChem CID 89299639) has the molecular formula C4H6IN3 and a molecular weight of 223.02 g/mol. Its IUPAC name is N-[(Z)-2-diazenylprop-1-enyl]methanimidoyl iodide.

Molecular Properties

Compound NameN-[(Z)-2-diazenylprop-1-enyl]methanimidoyl iodide
PubChem CID89299639
Molecular FormulaC4H6IN3
Molecular Weight223.02 g/mol
Exact Mass222.96
IUPAC NameN-[(Z)-2-diazenylprop-1-enyl]methanimidoyl iodide
SMILES[H]/N=N/C(C)=C\N=C\I
InChIInChI=1S/C4H6IN3/c1-4(8-6)2-7-3-5/h2-3,6H,1H3/b4-2-,7-3+,8-6+
InChIKeyZYABJOCYCNNETG-UIQMPFEESA-N
XLogP2.34
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.02
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(Z)-2-diazenylprop-1-enyl]methanimidoyl iodide?
The IUPAC name of N-[(Z)-2-diazenylprop-1-enyl]methanimidoyl iodide (CID 89299639) is N-[(Z)-2-diazenylprop-1-enyl]methanimidoyl iodide.
What is the SMILES notation for N-[(Z)-2-diazenylprop-1-enyl]methanimidoyl iodide?
The canonical SMILES for N-[(Z)-2-diazenylprop-1-enyl]methanimidoyl iodide is [H]/N=N/C(C)=C\N=C\I.
What is the InChIKey of N-[(Z)-2-diazenylprop-1-enyl]methanimidoyl iodide?
The InChIKey is ZYABJOCYCNNETG-UIQMPFEESA-N. The full InChI is InChI=1S/C4H6IN3/c1-4(8-6)2-7-3-5/h2-3,6H,1H3/b4-2-,7-3+,8-6+.
What are the key properties of N-[(Z)-2-diazenylprop-1-enyl]methanimidoyl iodide?
N-[(Z)-2-diazenylprop-1-enyl]methanimidoyl iodide has a molecular weight of 223.02 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-2-diazenylprop-1-enyl]methanimidoyl iodide is sourced from PubChem (CID 89299639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).