(8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol

C8H13NO — CID 10374532

IUPAC(8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol
SMILESO[C@@H]1C=CCN2CCC[C@@H]12
InChIInChI=1S/C8H13NO/c10-8-4-2-6-9-5-1-3-7(8)9/h2,4,7-8,10H,1,3,5-6H2/t7-,8+/m0/s1
InChIKeyOEDHIYFLMVDBFV-JGVFFNPUSA-N
MW139.20 g/mol
LogP0.38
Rot. Bonds

About (8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol

(8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol (PubChem CID 10374532) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is (8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol.

Molecular Properties

Compound Name(8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol
PubChem CID10374532
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name(8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol
SMILESO[C@@H]1C=CCN2CCC[C@@H]12
InChIInChI=1S/C8H13NO/c10-8-4-2-6-9-5-1-3-7(8)9/h2,4,7-8,10H,1,3,5-6H2/t7-,8+/m0/s1
InChIKeyOEDHIYFLMVDBFV-JGVFFNPUSA-N
XLogP0.38
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(3S)-7-fluoro-1,2,3,5,6,8a-hexahydroindolizin-3-yl]methanol
CID 170357117
1,2,3,5,8,8a-Hexahydroindolizine-1,2,5,8-tetrol
CID 57036186
(1S,2R,8R,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol
CID 67707947
1-(1-Prop-2-enylpyrrolidin-2-yl)prop-2-en-1-ol
CID 75244800
(E)-1-[(2S)-1-methylpyrrolidin-2-yl]but-2-en-1-ol
CID 162375504
6,8-Dimethyl-6-azabicyclo[3.2.1]oct-2-en-4-ol
CID 166882189
(1S)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol
CID 168910900
(1R)-1-[(2S)-1-methylpyrrolidin-2-yl]prop-2-en-1-ol
CID 170089631
(5S)-8-methyl-8-azabicyclo[3.2.1]oct-3-en-2-ol
CID 176046782
(1R,2S,8S,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2,8-triol
CID 10797262
(1S,2S,8AS)-1,2,3,5,8,8a-hexahydroindolizine-1,2-diol
CID 11073649
(1S,2S,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2-diol
CID 11804994

Frequently Asked Questions

What is the IUPAC name of (8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol?
The IUPAC name of (8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol (CID 10374532) is (8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol.
What is the SMILES notation for (8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol?
The canonical SMILES for (8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol is O[C@@H]1C=CCN2CCC[C@@H]12.
What is the InChIKey of (8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol?
The InChIKey is OEDHIYFLMVDBFV-JGVFFNPUSA-N. The full InChI is InChI=1S/C8H13NO/c10-8-4-2-6-9-5-1-3-7(8)9/h2,4,7-8,10H,1,3,5-6H2/t7-,8+/m0/s1.
What are the key properties of (8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol?
(8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol has a molecular weight of 139.20 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol is sourced from PubChem (CID 10374532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).