(1S,2R,8aR)-1,2,3,5,6,8a-hexahydroindolizine-1,2-diol

C8H13NO2 — CID 11298089

IUPAC(1S,2R,8aR)-1,2,3,5,6,8a-hexahydroindolizine-1,2-diol
SMILESO[C@@H]1[C@H](O)CN2CCC=C[C@H]12
InChIInChI=1S/C8H13NO2/c10-7-5-9-4-2-1-3-6(9)8(7)11/h1,3,6-8,10-11H,2,4-5H2/t6-,7-,8+/m1/s1
InChIKeyPKBAGZJCVUAHDY-PRJMDXOYSA-N
MW155.20 g/mol
LogP-0.65
Rot. Bonds

About (1S,2R,8aR)-1,2,3,5,6,8a-hexahydroindolizine-1,2-diol

(1S,2R,8aR)-1,2,3,5,6,8a-hexahydroindolizine-1,2-diol (PubChem CID 11298089) has the molecular formula C8H13NO2 and a molecular weight of 155.20 g/mol. Its IUPAC name is (1S,2R,8aR)-1,2,3,5,6,8a-hexahydroindolizine-1,2-diol.

Molecular Properties

Compound Name(1S,2R,8aR)-1,2,3,5,6,8a-hexahydroindolizine-1,2-diol
PubChem CID11298089
Molecular FormulaC8H13NO2
Molecular Weight155.20 g/mol
Exact Mass155.09
IUPAC Name(1S,2R,8aR)-1,2,3,5,6,8a-hexahydroindolizine-1,2-diol
SMILESO[C@@H]1[C@H](O)CN2CCC=C[C@H]12
InChIInChI=1S/C8H13NO2/c10-7-5-9-4-2-1-3-6(9)8(7)11/h1,3,6-8,10-11H,2,4-5H2/t6-,7-,8+/m1/s1
InChIKeyPKBAGZJCVUAHDY-PRJMDXOYSA-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 (1S,2R,8aR)-1,2,3,5,6,8a-hexahydroindolizine-1,2-diol?
The IUPAC name of (1S,2R,8aR)-1,2,3,5,6,8a-hexahydroindolizine-1,2-diol (CID 11298089) is (1S,2R,8aR)-1,2,3,5,6,8a-hexahydroindolizine-1,2-diol.
What is the SMILES notation for (1S,2R,8aR)-1,2,3,5,6,8a-hexahydroindolizine-1,2-diol?
The canonical SMILES for (1S,2R,8aR)-1,2,3,5,6,8a-hexahydroindolizine-1,2-diol is O[C@@H]1[C@H](O)CN2CCC=C[C@H]12.
What is the InChIKey of (1S,2R,8aR)-1,2,3,5,6,8a-hexahydroindolizine-1,2-diol?
The InChIKey is PKBAGZJCVUAHDY-PRJMDXOYSA-N. The full InChI is InChI=1S/C8H13NO2/c10-7-5-9-4-2-1-3-6(9)8(7)11/h1,3,6-8,10-11H,2,4-5H2/t6-,7-,8+/m1/s1.
What are the key properties of (1S,2R,8aR)-1,2,3,5,6,8a-hexahydroindolizine-1,2-diol?
(1S,2R,8aR)-1,2,3,5,6,8a-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 (1S,2R,8aR)-1,2,3,5,6,8a-hexahydroindolizine-1,2-diol is sourced from PubChem (CID 11298089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).