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

Name: (8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₀H₁₅NO — CID 11693960

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC(8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one

SMILESC=C[C@@H]1CCCN2C(=O)CC[C@@H]12

InChIInChI=1S/C10H15NO/c1-2-8-4-3-7-11-9(8)5-6-10(11)12/h2,8-9H,1,3-7H2/t8-,9+/m1/s1

InChIKeySPWKWORXCHQNNF-BDAKNGLRSA-N

MW165.24 g/mol

LogP1.57

Rot. Bonds1

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

(8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 11693960) has the molecular formula C₁₀H₁₅NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name	(8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID	11693960
Molecular Formula	C₁₀H₁₅NO
Molecular Weight	165.24 g/mol
Exact Mass	165.12
IUPAC Name	(8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILES	C=C[C@@H]1CCCN2C(=O)CC[C@@H]12
InChI	InChI=1S/C10H15NO/c1-2-8-4-3-7-11-9(8)5-6-10(11)12/h2,8-9H,1,3-7H2/t8-,9+/m1/s1
InChIKey	SPWKWORXCHQNNF-BDAKNGLRSA-N
XLogP	1.57
TPSA	20.31 Å²
H-Bond Donors
H-Bond Acceptors	1
Rotatable Bonds	1
Heavy Atoms	12
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	165.24
LogP ≤ 5	1.57
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?

The IUPAC name of (8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 11693960) is (8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

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

The canonical SMILES for (8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is C=C[C@@H]1CCCN2C(=O)CC[C@@H]12.

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

The InChIKey is SPWKWORXCHQNNF-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H15NO/c1-2-8-4-3-7-11-9(8)5-6-10(11)12/h2,8-9H,1,3-7H2/t8-,9+/m1/s1.

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

(8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 165.24 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for (8S,8aS)-8-ethenyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 11693960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 11693960 — identifiers, structure, computed properties (public domain)

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