1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol

C8H15NO3 — CID 5363

IUPAC1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
SMILESOC1CN2CCCC(O)C2C1O
InChIInChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2
InChIKeyFXUAIOOAOAVCGD-UHFFFAOYSA-N
MW173.21 g/mol
LogP-1.45
Rot. Bonds

About 1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol

1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol (PubChem CID 5363) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is 1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol.

Molecular Properties

Compound Name1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
PubChem CID5363
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
SMILESOC1CN2CCCC(O)C2C1O
InChIInChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2
InChIKeyFXUAIOOAOAVCGD-UHFFFAOYSA-N
XLogP-1.45
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.21
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol?
The IUPAC name of 1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol (CID 5363) is 1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol.
What is the SMILES notation for 1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol?
The canonical SMILES for 1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol is OC1CN2CCCC(O)C2C1O.
What is the InChIKey of 1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol?
The InChIKey is FXUAIOOAOAVCGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO3/c10-5-2-1-3-9-4-6(11)8(12)7(5)9/h5-8,10-12H,1-4H2.
What are the key properties of 1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol?
1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol has a molecular weight of 173.21 g/mol, XLogP of -1.45, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol is sourced from PubChem (CID 5363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).