(2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one

C₂₄H₃₈N₂O₂ — CID 158410856

About (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one

(2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one (PubChem CID 158410856) has the molecular formula C₂₄H₃₈N₂O₂ and a molecular weight of 386.58 g/mol. Its IUPAC name is (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one.

Molecular Properties

• Compound Name: (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one
• PubChem CID: 158410856
• Molecular Formula: C₂₄H₃₈N₂O₂
• Molecular Weight: 386.58 g/mol
• Exact Mass: 386.29
• IUPAC Name: (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one
• SMILES: C/C=C1/C[C@H]2C(C)CC(C)C(=O)N2C1.C/C=C1\C[C@H]2C(C)CC(C)C(=O)N2C1
• InChI: InChI=1S/2C12H19NO/c2*1-4-10-6-11-8(2)5-9(3)12(14)13(11)7-10/h2*4,8-9,11H,5-7H2,1-3H3/b10-4+;10-4-/t2*8?,9?,11-/m00/s1
• InChIKey: GZHGVEOKNOBBDQ-WRKQQIDWSA-N
• XLogP: 4.42
• TPSA: 40.62 Ų
• H-Bond Acceptors: 2
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.58
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one?

The IUPAC name of (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one (CID 158410856) is (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one.

What is the SMILES notation for (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one?

The canonical SMILES for (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one is C/C=C1/C[C@H]2C(C)CC(C)C(=O)N2C1.C/C=C1\C[C@H]2C(C)CC(C)C(=O)N2C1.

What is the InChIKey of (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one?

The InChIKey is GZHGVEOKNOBBDQ-WRKQQIDWSA-N. The full InChI is InChI=1S/2C12H19NO/c2*1-4-10-6-11-8(2)5-9(3)12(14)13(11)7-10/h2*4,8-9,11H,5-7H2,1-3H3/b10-4+;10-4-/t2*8?,9?,11-/m00/s1.

What are the key properties of (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one?

(2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one has a molecular weight of 386.58 g/mol, XLogP of 4.42, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (2Z,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one;(2E,8aS)-2-ethylidene-6,8-dimethyl-1,3,6,7,8,8a-hexahydroindolizin-5-one is sourced from PubChem (CID 158410856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 158410856 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.