2-[(Z)-but-2-enyl]iminoethanimidoyl iodide

C6H9IN2 — CID 134596202

IUPAC2-[(Z)-but-2-enyl]iminoethanimidoyl iodide
SMILES[H]/N=C(I)/C=N/C/C=C\C
InChIInChI=1S/C6H9IN2/c1-2-3-4-9-5-6(7)8/h2-3,5,8H,4H2,1H3/b3-2-,8-6-,9-5+
InChIKeyISWPTLVNNQPUDR-LWAOYRSMSA-N
MW236.06 g/mol
LogP2.05
Rot. Bonds3

About 2-[(Z)-but-2-enyl]iminoethanimidoyl iodide

2-[(Z)-but-2-enyl]iminoethanimidoyl iodide (PubChem CID 134596202) has the molecular formula C6H9IN2 and a molecular weight of 236.06 g/mol. Its IUPAC name is 2-[(Z)-but-2-enyl]iminoethanimidoyl iodide.

Molecular Properties

Compound Name2-[(Z)-but-2-enyl]iminoethanimidoyl iodide
PubChem CID134596202
Molecular FormulaC6H9IN2
Molecular Weight236.06 g/mol
Exact Mass235.98
IUPAC Name2-[(Z)-but-2-enyl]iminoethanimidoyl iodide
SMILES[H]/N=C(I)/C=N/C/C=C\C
InChIInChI=1S/C6H9IN2/c1-2-3-4-9-5-6(7)8/h2-3,5,8H,4H2,1H3/b3-2-,8-6-,9-5+
InChIKeyISWPTLVNNQPUDR-LWAOYRSMSA-N
XLogP2.05
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.06
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-but-2-enyl]iminoethanimidoyl iodide?
The IUPAC name of 2-[(Z)-but-2-enyl]iminoethanimidoyl iodide (CID 134596202) is 2-[(Z)-but-2-enyl]iminoethanimidoyl iodide.
What is the SMILES notation for 2-[(Z)-but-2-enyl]iminoethanimidoyl iodide?
The canonical SMILES for 2-[(Z)-but-2-enyl]iminoethanimidoyl iodide is [H]/N=C(I)/C=N/C/C=C\C.
What is the InChIKey of 2-[(Z)-but-2-enyl]iminoethanimidoyl iodide?
The InChIKey is ISWPTLVNNQPUDR-LWAOYRSMSA-N. The full InChI is InChI=1S/C6H9IN2/c1-2-3-4-9-5-6(7)8/h2-3,5,8H,4H2,1H3/b3-2-,8-6-,9-5+.
What are the key properties of 2-[(Z)-but-2-enyl]iminoethanimidoyl iodide?
2-[(Z)-but-2-enyl]iminoethanimidoyl iodide has a molecular weight of 236.06 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-but-2-enyl]iminoethanimidoyl iodide is sourced from PubChem (CID 134596202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).