N'-[(Z)-but-2-en-2-yl]carbamimidoyl iodide

C5H9IN2 — CID 166836793

IUPACN'-[(Z)-but-2-en-2-yl]carbamimidoyl iodide
SMILESC/C=C(C)\N=C(\N)I
InChIInChI=1S/C5H9IN2/c1-3-4(2)8-5(6)7/h3H,1-2H3,(H2,7,8)/b4-3-
InChIKeyVSPRNDNQQNVCQW-ARJAWSKDSA-N
MW224.04 g/mol
LogP1.66
Rot. Bonds1

About N'-[(Z)-but-2-en-2-yl]carbamimidoyl iodide

N'-[(Z)-but-2-en-2-yl]carbamimidoyl iodide (PubChem CID 166836793) has the molecular formula C5H9IN2 and a molecular weight of 224.04 g/mol. Its IUPAC name is N'-[(Z)-but-2-en-2-yl]carbamimidoyl iodide.

Molecular Properties

Compound NameN'-[(Z)-but-2-en-2-yl]carbamimidoyl iodide
PubChem CID166836793
Molecular FormulaC5H9IN2
Molecular Weight224.04 g/mol
Exact Mass223.98
IUPAC NameN'-[(Z)-but-2-en-2-yl]carbamimidoyl iodide
SMILESC/C=C(C)\N=C(\N)I
InChIInChI=1S/C5H9IN2/c1-3-4(2)8-5(6)7/h3H,1-2H3,(H2,7,8)/b4-3-
InChIKeyVSPRNDNQQNVCQW-ARJAWSKDSA-N
XLogP1.66
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.04
LogP ≤ 51.66
H-Bond Donors ≤ 51
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'-[(Z)-but-2-en-2-yl]carbamimidoyl iodide?
The IUPAC name of N'-[(Z)-but-2-en-2-yl]carbamimidoyl iodide (CID 166836793) is N'-[(Z)-but-2-en-2-yl]carbamimidoyl iodide.
What is the SMILES notation for N'-[(Z)-but-2-en-2-yl]carbamimidoyl iodide?
The canonical SMILES for N'-[(Z)-but-2-en-2-yl]carbamimidoyl iodide is C/C=C(C)\N=C(\N)I.
What is the InChIKey of N'-[(Z)-but-2-en-2-yl]carbamimidoyl iodide?
The InChIKey is VSPRNDNQQNVCQW-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H9IN2/c1-3-4(2)8-5(6)7/h3H,1-2H3,(H2,7,8)/b4-3-.
What are the key properties of N'-[(Z)-but-2-en-2-yl]carbamimidoyl iodide?
N'-[(Z)-but-2-en-2-yl]carbamimidoyl iodide has a molecular weight of 224.04 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(Z)-but-2-en-2-yl]carbamimidoyl iodide is sourced from PubChem (CID 166836793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).