(5E)-8-ethenyl-7,8-diethyl-1,7-dimethyl-5-[(2Z)-penta-2,4-dienylidene]-6,8a-dihydroimidazo[1,2-a]pyridine

C20H30N2 — CID 129109378

About (5E)-8-ethenyl-7,8-diethyl-1,7-dimethyl-5-[(2Z)-penta-2,4-dienylidene]-6,8a-dihydroimidazo[1,2-a]pyridine

(5E)-8-ethenyl-7,8-diethyl-1,7-dimethyl-5-[(2Z)-penta-2,4-dienylidene]-6,8a-dihydroimidazo[1,2-a]pyridine (PubChem CID 129109378) has the molecular formula C20H30N2 and a molecular weight of 298.47 g/mol. Its IUPAC name is (5E)-8-ethenyl-7,8-diethyl-1,7-dimethyl-5-[(2Z)-penta-2,4-dienylidene]-6,8a-dihydroimidazo[1,2-a]pyridine.

Molecular Properties

• Compound Name: (5E)-8-ethenyl-7,8-diethyl-1,7-dimethyl-5-[(2Z)-penta-2,4-dienylidene]-6,8a-dihydroimidazo[1,2-a]pyridine
• PubChem CID: 129109378
• Molecular Formula: C20H30N2
• Molecular Weight: 298.47 g/mol
• Exact Mass: 298.24
• IUPAC Name: (5E)-8-ethenyl-7,8-diethyl-1,7-dimethyl-5-[(2Z)-penta-2,4-dienylidene]-6,8a-dihydroimidazo[1,2-a]pyridine
• SMILES: C=C/C=C\C=C1/CC(C)(CC)C(C=C)(CC)C2N(C)C=CN12
• InChI: InChI=1S/C20H30N2/c1-7-11-12-13-17-16-19(5,8-2)20(9-3,10-4)18-21(6)14-15-22(17)18/h7,9,11-15,18H,1,3,8,10,16H2,2,4-6H3/b12-11-,17-13+
• InChIKey: MLJBQDUWMCKNPO-WCVKEAJASA-N
• XLogP: 5.06
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 5
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	298.47
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5E)-8-ethenyl-7,8-diethyl-1,7-dimethyl-5-[(2Z)-penta-2,4-dienylidene]-6,8a-dihydroimidazo[1,2-a]pyridine?

The IUPAC name of (5E)-8-ethenyl-7,8-diethyl-1,7-dimethyl-5-[(2Z)-penta-2,4-dienylidene]-6,8a-dihydroimidazo[1,2-a]pyridine (CID 129109378) is (5E)-8-ethenyl-7,8-diethyl-1,7-dimethyl-5-[(2Z)-penta-2,4-dienylidene]-6,8a-dihydroimidazo[1,2-a]pyridine.

What is the SMILES notation for (5E)-8-ethenyl-7,8-diethyl-1,7-dimethyl-5-[(2Z)-penta-2,4-dienylidene]-6,8a-dihydroimidazo[1,2-a]pyridine?

The canonical SMILES for (5E)-8-ethenyl-7,8-diethyl-1,7-dimethyl-5-[(2Z)-penta-2,4-dienylidene]-6,8a-dihydroimidazo[1,2-a]pyridine is C=C/C=C\C=C1/CC(C)(CC)C(C=C)(CC)C2N(C)C=CN12.

What is the InChIKey of (5E)-8-ethenyl-7,8-diethyl-1,7-dimethyl-5-[(2Z)-penta-2,4-dienylidene]-6,8a-dihydroimidazo[1,2-a]pyridine?

The InChIKey is MLJBQDUWMCKNPO-WCVKEAJASA-N. The full InChI is InChI=1S/C20H30N2/c1-7-11-12-13-17-16-19(5,8-2)20(9-3,10-4)18-21(6)14-15-22(17)18/h7,9,11-15,18H,1,3,8,10,16H2,2,4-6H3/b12-11-,17-13+.

What are the key properties of (5E)-8-ethenyl-7,8-diethyl-1,7-dimethyl-5-[(2Z)-penta-2,4-dienylidene]-6,8a-dihydroimidazo[1,2-a]pyridine?

(5E)-8-ethenyl-7,8-diethyl-1,7-dimethyl-5-[(2Z)-penta-2,4-dienylidene]-6,8a-dihydroimidazo[1,2-a]pyridine has a molecular weight of 298.47 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-8-ethenyl-7,8-diethyl-1,7-dimethyl-5-[(2Z)-penta-2,4-dienylidene]-6,8a-dihydroimidazo[1,2-a]pyridine is sourced from PubChem (CID 129109378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).