(5R,6R,7S,8R,8aS)-6-ethenyl-8-ethyl-7-hydroxy-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

C₁₅H₂₅NO₂ — CID 11288188

About (5R,6R,7S,8R,8aS)-6-ethenyl-8-ethyl-7-hydroxy-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

(5R,6R,7S,8R,8aS)-6-ethenyl-8-ethyl-7-hydroxy-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 11288188) has the molecular formula C₁₅H₂₅NO₂ and a molecular weight of 251.37 g/mol. Its IUPAC name is (5R,6R,7S,8R,8aS)-6-ethenyl-8-ethyl-7-hydroxy-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

• Compound Name: (5R,6R,7S,8R,8aS)-6-ethenyl-8-ethyl-7-hydroxy-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
• PubChem CID: 11288188
• Molecular Formula: C₁₅H₂₅NO₂
• Molecular Weight: 251.37 g/mol
• Exact Mass: 251.19
• IUPAC Name: (5R,6R,7S,8R,8aS)-6-ethenyl-8-ethyl-7-hydroxy-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
• SMILES: C=C[C@H]1[C@@H](O)[C@H](CC)[C@@H]2CCC(=O)N2[C@@H]1CCC
• InChI: InChI=1S/C15H25NO2/c1-4-7-12-10(5-2)15(18)11(6-3)13-8-9-14(17)16(12)13/h5,10-13,15,18H,2,4,6-9H2,1,3H3/t10-,11-,12-,13+,15-/m1/s1
• InChIKey: HKTMNQWFNGFCRY-XLFUENPSSA-N
• XLogP: 2.35
• TPSA: 40.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 18
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	251.37
LogP ≤ 5	2.35
H-Bond Donors ≤ 5	1
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 (5R,6R,7S,8R,8aS)-6-ethenyl-8-ethyl-7-hydroxy-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?

The IUPAC name of (5R,6R,7S,8R,8aS)-6-ethenyl-8-ethyl-7-hydroxy-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 11288188) is (5R,6R,7S,8R,8aS)-6-ethenyl-8-ethyl-7-hydroxy-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

What is the SMILES notation for (5R,6R,7S,8R,8aS)-6-ethenyl-8-ethyl-7-hydroxy-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?

The canonical SMILES for (5R,6R,7S,8R,8aS)-6-ethenyl-8-ethyl-7-hydroxy-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is C=C[C@H]1[C@@H](O)[C@H](CC)[C@@H]2CCC(=O)N2[C@@H]1CCC.

What is the InChIKey of (5R,6R,7S,8R,8aS)-6-ethenyl-8-ethyl-7-hydroxy-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?

The InChIKey is HKTMNQWFNGFCRY-XLFUENPSSA-N. The full InChI is InChI=1S/C15H25NO2/c1-4-7-12-10(5-2)15(18)11(6-3)13-8-9-14(17)16(12)13/h5,10-13,15,18H,2,4,6-9H2,1,3H3/t10-,11-,12-,13+,15-/m1/s1.

What are the key properties of (5R,6R,7S,8R,8aS)-6-ethenyl-8-ethyl-7-hydroxy-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?

(5R,6R,7S,8R,8aS)-6-ethenyl-8-ethyl-7-hydroxy-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 251.37 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (5R,6R,7S,8R,8aS)-6-ethenyl-8-ethyl-7-hydroxy-5-propyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 11288188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11288188 — identifiers, structure, computed properties (public domain)

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