(Z,1E)-N-ethanimidoyl-2-methylbut-2-enehydrazonoyl iodide

C7H12IN3 — CID 176530011

IUPAC(Z,1E)-N-ethanimidoyl-2-methylbut-2-enehydrazonoyl iodide
SMILES[H]/N=C(\C)N/N=C(I)\C(C)=C/C
InChIInChI=1S/C7H12IN3/c1-4-5(2)7(8)11-10-6(3)9/h4H,1-3H3,(H2,9,10)/b5-4-,11-7+
InChIKeyXZSCRCHDCCOOAT-DNFZQOLXSA-N
MW265.10 g/mol
LogP2.29
Rot. Bonds2

About (Z,1E)-N-ethanimidoyl-2-methylbut-2-enehydrazonoyl iodide

(Z,1E)-N-ethanimidoyl-2-methylbut-2-enehydrazonoyl iodide (PubChem CID 176530011) has the molecular formula C7H12IN3 and a molecular weight of 265.10 g/mol. Its IUPAC name is (Z,1E)-N-ethanimidoyl-2-methylbut-2-enehydrazonoyl iodide.

Molecular Properties

Compound Name(Z,1E)-N-ethanimidoyl-2-methylbut-2-enehydrazonoyl iodide
PubChem CID176530011
Molecular FormulaC7H12IN3
Molecular Weight265.10 g/mol
Exact Mass265.01
IUPAC Name(Z,1E)-N-ethanimidoyl-2-methylbut-2-enehydrazonoyl iodide
SMILES[H]/N=C(\C)N/N=C(I)\C(C)=C/C
InChIInChI=1S/C7H12IN3/c1-4-5(2)7(8)11-10-6(3)9/h4H,1-3H3,(H2,9,10)/b5-4-,11-7+
InChIKeyXZSCRCHDCCOOAT-DNFZQOLXSA-N
XLogP2.29
TPSA48.24 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 52.29
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,1E)-N-ethanimidoyl-2-methylbut-2-enehydrazonoyl iodide?
The IUPAC name of (Z,1E)-N-ethanimidoyl-2-methylbut-2-enehydrazonoyl iodide (CID 176530011) is (Z,1E)-N-ethanimidoyl-2-methylbut-2-enehydrazonoyl iodide.
What is the SMILES notation for (Z,1E)-N-ethanimidoyl-2-methylbut-2-enehydrazonoyl iodide?
The canonical SMILES for (Z,1E)-N-ethanimidoyl-2-methylbut-2-enehydrazonoyl iodide is [H]/N=C(\C)N/N=C(I)\C(C)=C/C.
What is the InChIKey of (Z,1E)-N-ethanimidoyl-2-methylbut-2-enehydrazonoyl iodide?
The InChIKey is XZSCRCHDCCOOAT-DNFZQOLXSA-N. The full InChI is InChI=1S/C7H12IN3/c1-4-5(2)7(8)11-10-6(3)9/h4H,1-3H3,(H2,9,10)/b5-4-,11-7+.
What are the key properties of (Z,1E)-N-ethanimidoyl-2-methylbut-2-enehydrazonoyl iodide?
(Z,1E)-N-ethanimidoyl-2-methylbut-2-enehydrazonoyl iodide has a molecular weight of 265.10 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,1E)-N-ethanimidoyl-2-methylbut-2-enehydrazonoyl iodide is sourced from PubChem (CID 176530011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).