1,2,3,5,8,8a-hexahydroindolizin-8-ol

C8H13NO — CID 85125732

IUPAC1,2,3,5,8,8a-hexahydroindolizin-8-ol
SMILESOC1C=CCN2CCCC12
InChIInChI=1S/C8H13NO/c10-8-4-2-6-9-5-1-3-7(8)9/h2,4,7-8,10H,1,3,5-6H2
InChIKeyOEDHIYFLMVDBFV-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.38
Rot. Bonds

About 1,2,3,5,8,8a-hexahydroindolizin-8-ol

1,2,3,5,8,8a-hexahydroindolizin-8-ol (PubChem CID 85125732) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1,2,3,5,8,8a-hexahydroindolizin-8-ol.

Molecular Properties

Compound Name1,2,3,5,8,8a-hexahydroindolizin-8-ol
PubChem CID85125732
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1,2,3,5,8,8a-hexahydroindolizin-8-ol
SMILESOC1C=CCN2CCCC12
InChIInChI=1S/C8H13NO/c10-8-4-2-6-9-5-1-3-7(8)9/h2,4,7-8,10H,1,3,5-6H2
InChIKeyOEDHIYFLMVDBFV-UHFFFAOYSA-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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,8,8a-hexahydroindolizin-8-ol?
The IUPAC name of 1,2,3,5,8,8a-hexahydroindolizin-8-ol (CID 85125732) is 1,2,3,5,8,8a-hexahydroindolizin-8-ol.
What is the SMILES notation for 1,2,3,5,8,8a-hexahydroindolizin-8-ol?
The canonical SMILES for 1,2,3,5,8,8a-hexahydroindolizin-8-ol is OC1C=CCN2CCCC12.
What is the InChIKey of 1,2,3,5,8,8a-hexahydroindolizin-8-ol?
The InChIKey is OEDHIYFLMVDBFV-UHFFFAOYSA-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.
What are the key properties of 1,2,3,5,8,8a-hexahydroindolizin-8-ol?
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 1,2,3,5,8,8a-hexahydroindolizin-8-ol is sourced from PubChem (CID 85125732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).