2-[(Z)-2-[[(Z)-prop-1-enyl]amino]ethenyl]iminoethanimidoyl iodide

C7H10IN3 — CID 136966769

IUPAC2-[(Z)-2-[[(Z)-prop-1-enyl]amino]ethenyl]iminoethanimidoyl iodide
SMILES[H]/N=C(I)/C=N/C=C\N/C=C\C
InChIInChI=1S/C7H10IN3/c1-2-3-10-4-5-11-6-7(8)9/h2-6,9-10H,1H3/b3-2-,5-4-,9-7-,11-6+
InChIKeyKTZITMBPYNKHGU-ILQXXABOSA-N
MW263.08 g/mol
LogP2.06
Rot. Bonds4

About 2-[(Z)-2-[[(Z)-prop-1-enyl]amino]ethenyl]iminoethanimidoyl iodide

2-[(Z)-2-[[(Z)-prop-1-enyl]amino]ethenyl]iminoethanimidoyl iodide (PubChem CID 136966769) has the molecular formula C7H10IN3 and a molecular weight of 263.08 g/mol. Its IUPAC name is 2-[(Z)-2-[[(Z)-prop-1-enyl]amino]ethenyl]iminoethanimidoyl iodide.

Molecular Properties

Compound Name2-[(Z)-2-[[(Z)-prop-1-enyl]amino]ethenyl]iminoethanimidoyl iodide
PubChem CID136966769
Molecular FormulaC7H10IN3
Molecular Weight263.08 g/mol
Exact Mass262.99
IUPAC Name2-[(Z)-2-[[(Z)-prop-1-enyl]amino]ethenyl]iminoethanimidoyl iodide
SMILES[H]/N=C(I)/C=N/C=C\N/C=C\C
InChIInChI=1S/C7H10IN3/c1-2-3-10-4-5-11-6-7(8)9/h2-6,9-10H,1H3/b3-2-,5-4-,9-7-,11-6+
InChIKeyKTZITMBPYNKHGU-ILQXXABOSA-N
XLogP2.06
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'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 2-[(Z)-2-[[(Z)-prop-1-enyl]amino]ethenyl]iminoethanimidoyl iodide?
The IUPAC name of 2-[(Z)-2-[[(Z)-prop-1-enyl]amino]ethenyl]iminoethanimidoyl iodide (CID 136966769) is 2-[(Z)-2-[[(Z)-prop-1-enyl]amino]ethenyl]iminoethanimidoyl iodide.
What is the SMILES notation for 2-[(Z)-2-[[(Z)-prop-1-enyl]amino]ethenyl]iminoethanimidoyl iodide?
The canonical SMILES for 2-[(Z)-2-[[(Z)-prop-1-enyl]amino]ethenyl]iminoethanimidoyl iodide is [H]/N=C(I)/C=N/C=C\N/C=C\C.
What is the InChIKey of 2-[(Z)-2-[[(Z)-prop-1-enyl]amino]ethenyl]iminoethanimidoyl iodide?
The InChIKey is KTZITMBPYNKHGU-ILQXXABOSA-N. The full InChI is InChI=1S/C7H10IN3/c1-2-3-10-4-5-11-6-7(8)9/h2-6,9-10H,1H3/b3-2-,5-4-,9-7-,11-6+.
What are the key properties of 2-[(Z)-2-[[(Z)-prop-1-enyl]amino]ethenyl]iminoethanimidoyl iodide?
2-[(Z)-2-[[(Z)-prop-1-enyl]amino]ethenyl]iminoethanimidoyl iodide has a molecular weight of 263.08 g/mol, XLogP of 2.06, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-[[(Z)-prop-1-enyl]amino]ethenyl]iminoethanimidoyl iodide is sourced from PubChem (CID 136966769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).