cyclohex-3-ene-1,2-diimine

C6H8N2 — CID 89322383

IUPACcyclohex-3-ene-1,2-diimine
SMILES[H]/N=C1\C=CCC\C1=N/[H]
InChIInChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1,3,7-8H,2,4H2/b7-5+,8-6+
InChIKeyBDBQINNPQBLKNK-KQQUZDAGSA-N
MW108.14 g/mol
LogP1.38
Rot. Bonds

About cyclohex-3-ene-1,2-diimine

cyclohex-3-ene-1,2-diimine (PubChem CID 89322383) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is cyclohex-3-ene-1,2-diimine.

Molecular Properties

Compound Namecyclohex-3-ene-1,2-diimine
PubChem CID89322383
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Namecyclohex-3-ene-1,2-diimine
SMILES[H]/N=C1\C=CCC\C1=N/[H]
InChIInChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1,3,7-8H,2,4H2/b7-5+,8-6+
InChIKeyBDBQINNPQBLKNK-KQQUZDAGSA-N
XLogP1.38
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclohex-3-ene-1,2-diimine?
The IUPAC name of cyclohex-3-ene-1,2-diimine (CID 89322383) is cyclohex-3-ene-1,2-diimine.
What is the SMILES notation for cyclohex-3-ene-1,2-diimine?
The canonical SMILES for cyclohex-3-ene-1,2-diimine is [H]/N=C1\C=CCC\C1=N/[H].
What is the InChIKey of cyclohex-3-ene-1,2-diimine?
The InChIKey is BDBQINNPQBLKNK-KQQUZDAGSA-N. The full InChI is InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1,3,7-8H,2,4H2/b7-5+,8-6+.
What are the key properties of cyclohex-3-ene-1,2-diimine?
cyclohex-3-ene-1,2-diimine has a molecular weight of 108.14 g/mol, XLogP of 1.38, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohex-3-ene-1,2-diimine is sourced from PubChem (CID 89322383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).