(Z)-4-iminohex-2-enimidoyl cyanide

C7H9N3 — CID 134426295

IUPAC(Z)-4-iminohex-2-enimidoyl cyanide
SMILES[H]/N=C(C#N)/C=C\C(CC)=N\[H]
InChIInChI=1S/C7H9N3/c1-2-6(9)3-4-7(10)5-8/h3-4,9-10H,2H2,1H3/b4-3-,9-6+,10-7-
InChIKeySQFAFWJVGDWLOB-BEAJWGDRSA-N
MW135.17 g/mol
LogP1.52
Rot. Bonds3

About (Z)-4-iminohex-2-enimidoyl cyanide

(Z)-4-iminohex-2-enimidoyl cyanide (PubChem CID 134426295) has the molecular formula C7H9N3 and a molecular weight of 135.17 g/mol. Its IUPAC name is (Z)-4-iminohex-2-enimidoyl cyanide.

Molecular Properties

Compound Name(Z)-4-iminohex-2-enimidoyl cyanide
PubChem CID134426295
Molecular FormulaC7H9N3
Molecular Weight135.17 g/mol
Exact Mass135.08
IUPAC Name(Z)-4-iminohex-2-enimidoyl cyanide
SMILES[H]/N=C(C#N)/C=C\C(CC)=N\[H]
InChIInChI=1S/C7H9N3/c1-2-6(9)3-4-7(10)5-8/h3-4,9-10H,2H2,1H3/b4-3-,9-6+,10-7-
InChIKeySQFAFWJVGDWLOB-BEAJWGDRSA-N
XLogP1.52
TPSA71.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.17
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-4-iminohex-2-enimidoyl cyanide?
The IUPAC name of (Z)-4-iminohex-2-enimidoyl cyanide (CID 134426295) is (Z)-4-iminohex-2-enimidoyl cyanide.
What is the SMILES notation for (Z)-4-iminohex-2-enimidoyl cyanide?
The canonical SMILES for (Z)-4-iminohex-2-enimidoyl cyanide is [H]/N=C(C#N)/C=C\C(CC)=N\[H].
What is the InChIKey of (Z)-4-iminohex-2-enimidoyl cyanide?
The InChIKey is SQFAFWJVGDWLOB-BEAJWGDRSA-N. The full InChI is InChI=1S/C7H9N3/c1-2-6(9)3-4-7(10)5-8/h3-4,9-10H,2H2,1H3/b4-3-,9-6+,10-7-.
What are the key properties of (Z)-4-iminohex-2-enimidoyl cyanide?
(Z)-4-iminohex-2-enimidoyl cyanide has a molecular weight of 135.17 g/mol, XLogP of 1.52, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-iminohex-2-enimidoyl cyanide is sourced from PubChem (CID 134426295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).