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

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

C₁₀H₁₅NO₂ — CID 131134273

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

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

SMILESC=C[C@H]1CN2C(=O)CC[C@@H]2C[C@@H]1O

InChIInChI=1S/C10H15NO2/c1-2-7-6-11-8(5-9(7)12)3-4-10(11)13/h2,7-9,12H,1,3-6H2/t7-,8+,9-/m0/s1

InChIKeyYTFJCTWDFQNVQO-YIZRAAEISA-N

MW181.23 g/mol

LogP0.54

Rot. Bonds1

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

(6S,7S,8aR)-6-ethenyl-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (PubChem CID 131134273) has the molecular formula C₁₀H₁₅NO₂ and a molecular weight of 181.23 g/mol. Its IUPAC name is (6S,7S,8aR)-6-ethenyl-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

Molecular Properties

Compound Name	(6S,7S,8aR)-6-ethenyl-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
PubChem CID	131134273
Molecular Formula	C₁₀H₁₅NO₂
Molecular Weight	181.23 g/mol
Exact Mass	181.11
IUPAC Name	(6S,7S,8aR)-6-ethenyl-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
SMILES	C=C[C@H]1CN2C(=O)CC[C@@H]2C[C@@H]1O
InChI	InChI=1S/C10H15NO2/c1-2-7-6-11-8(5-9(7)12)3-4-10(11)13/h2,7-9,12H,1,3-6H2/t7-,8+,9-/m0/s1
InChIKey	YTFJCTWDFQNVQO-YIZRAAEISA-N
XLogP	0.54
TPSA	40.54 Å²
H-Bond Donors	1
H-Bond Acceptors	2
Rotatable Bonds	1
Heavy Atoms	13
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	181.23
LogP ≤ 5	0.54
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 (6S,7S,8aR)-6-ethenyl-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one?

The IUPAC name of (6S,7S,8aR)-6-ethenyl-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one (CID 131134273) is (6S,7S,8aR)-6-ethenyl-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one.

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

The canonical SMILES for (6S,7S,8aR)-6-ethenyl-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is C=C[C@H]1CN2C(=O)CC[C@@H]2C[C@@H]1O.

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

The InChIKey is YTFJCTWDFQNVQO-YIZRAAEISA-N. The full InChI is InChI=1S/C10H15NO2/c1-2-7-6-11-8(5-9(7)12)3-4-10(11)13/h2,7-9,12H,1,3-6H2/t7-,8+,9-/m0/s1.

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

(6S,7S,8aR)-6-ethenyl-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one has a molecular weight of 181.23 g/mol, XLogP of 0.54, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (6S,7S,8aR)-6-ethenyl-7-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one is sourced from PubChem (CID 131134273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 131134273 — identifiers, structure, computed properties (public domain)

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