1,2,3,5,8,8a-hexahydroindolizine-1,2-diol

C8H13NO2 — CID 71437967

IUPAC1,2,3,5,8,8a-hexahydroindolizine-1,2-diol
SMILESOC1CN2CC=CCC2C1O
InChIInChI=1S/C8H13NO2/c10-7-5-9-4-2-1-3-6(9)8(7)11/h1-2,6-8,10-11H,3-5H2
InChIKeyRXXIKSQLNNXKNN-UHFFFAOYSA-N
MW155.20 g/mol
LogP-0.65
Rot. Bonds

About 1,2,3,5,8,8a-hexahydroindolizine-1,2-diol

1,2,3,5,8,8a-hexahydroindolizine-1,2-diol (PubChem CID 71437967) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is 1,2,3,5,8,8a-hexahydroindolizine-1,2-diol.

Molecular Properties

Compound Name1,2,3,5,8,8a-hexahydroindolizine-1,2-diol
PubChem CID71437967
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name1,2,3,5,8,8a-hexahydroindolizine-1,2-diol
SMILESOC1CN2CC=CCC2C1O
InChIInChI=1S/C8H13NO2/c10-7-5-9-4-2-1-3-6(9)8(7)11/h1-2,6-8,10-11H,3-5H2
InChIKeyRXXIKSQLNNXKNN-UHFFFAOYSA-N
XLogP-0.65
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 5-0.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-hexahydroindolizine-1,2-diol?
The IUPAC name of 1,2,3,5,8,8a-hexahydroindolizine-1,2-diol (CID 71437967) is 1,2,3,5,8,8a-hexahydroindolizine-1,2-diol.
What is the SMILES notation for 1,2,3,5,8,8a-hexahydroindolizine-1,2-diol?
The canonical SMILES for 1,2,3,5,8,8a-hexahydroindolizine-1,2-diol is OC1CN2CC=CCC2C1O.
What is the InChIKey of 1,2,3,5,8,8a-hexahydroindolizine-1,2-diol?
The InChIKey is RXXIKSQLNNXKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-7-5-9-4-2-1-3-6(9)8(7)11/h1-2,6-8,10-11H,3-5H2.
What are the key properties of 1,2,3,5,8,8a-hexahydroindolizine-1,2-diol?
1,2,3,5,8,8a-hexahydroindolizine-1,2-diol has a molecular weight of 155.20 g/mol, XLogP of -0.65, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,8,8a-hexahydroindolizine-1,2-diol is sourced from PubChem (CID 71437967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).