(6-oxocyclohex-2-en-1-ylidene)azanium

C₆H₈NO+ — CID 163991159

About (6-oxocyclohex-2-en-1-ylidene)azanium

(6-oxocyclohex-2-en-1-ylidene)azanium (PubChem CID 163991159) has the molecular formula C₆H₈NO+ and a molecular weight of 110.14 g/mol. Its IUPAC name is (6-oxocyclohex-2-en-1-ylidene)azanium.

Molecular Properties

• Compound Name: (6-oxocyclohex-2-en-1-ylidene)azanium
• PubChem CID: 163991159
• Molecular Formula: C₆H₈NO+
• Molecular Weight: 110.14 g/mol
• Exact Mass: 110.06
• IUPAC Name: (6-oxocyclohex-2-en-1-ylidene)azanium
• SMILES: [NH2+]=C1C=CCCC1=O
• InChI: InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1,3,7H,2,4H2/p+1
• InChIKey: UATBPDRCJIDIFW-UHFFFAOYSA-O
• XLogP: -0.89
• TPSA: 42.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 1
• Heavy Atoms: 8
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	110.14
LogP ≤ 5	-0.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (6-oxocyclohex-2-en-1-ylidene)azanium?

The IUPAC name of (6-oxocyclohex-2-en-1-ylidene)azanium (CID 163991159) is (6-oxocyclohex-2-en-1-ylidene)azanium.

What is the SMILES notation for (6-oxocyclohex-2-en-1-ylidene)azanium?

The canonical SMILES for (6-oxocyclohex-2-en-1-ylidene)azanium is [NH2+]=C1C=CCCC1=O.

What is the InChIKey of (6-oxocyclohex-2-en-1-ylidene)azanium?

The InChIKey is UATBPDRCJIDIFW-UHFFFAOYSA-O. The full InChI is InChI=1S/C6H7NO/c7-5-3-1-2-4-6(5)8/h1,3,7H,2,4H2/p+1.

What are the key properties of (6-oxocyclohex-2-en-1-ylidene)azanium?

(6-oxocyclohex-2-en-1-ylidene)azanium has a molecular weight of 110.14 g/mol, XLogP of -0.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (6-oxocyclohex-2-en-1-ylidene)azanium is sourced from PubChem (CID 163991159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 163991159 — identifiers, structure, computed properties (public domain)

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