(1R,2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol

C8H15NO2 — CID 11073680

IUPAC(1R,2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol
SMILESO[C@H]1[C@H](O)CN2CCCC[C@@H]12
InChIInChI=1S/C8H15NO2/c10-7-5-9-4-2-1-3-6(9)8(7)11/h6-8,10-11H,1-5H2/t6-,7+,8+/m0/s1
InChIKeySQECYPINZNWUTE-XLPZGREQSA-N
MW157.21 g/mol
LogP-0.42
Rot. Bonds

About (1R,2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol

(1R,2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol (PubChem CID 11073680) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is (1R,2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol.

Molecular Properties

Compound Name(1R,2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol
PubChem CID11073680
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name(1R,2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol
SMILESO[C@H]1[C@H](O)CN2CCCC[C@@H]12
InChIInChI=1S/C8H15NO2/c10-7-5-9-4-2-1-3-6(9)8(7)11/h6-8,10-11H,1-5H2/t6-,7+,8+/m0/s1
InChIKeySQECYPINZNWUTE-XLPZGREQSA-N
XLogP-0.42
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 5-0.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R,2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol?
The IUPAC name of (1R,2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol (CID 11073680) is (1R,2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol.
What is the SMILES notation for (1R,2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol?
The canonical SMILES for (1R,2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol is O[C@H]1[C@H](O)CN2CCCC[C@@H]12.
What is the InChIKey of (1R,2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol?
The InChIKey is SQECYPINZNWUTE-XLPZGREQSA-N. The full InChI is InChI=1S/C8H15NO2/c10-7-5-9-4-2-1-3-6(9)8(7)11/h6-8,10-11H,1-5H2/t6-,7+,8+/m0/s1.
What are the key properties of (1R,2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol?
(1R,2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol has a molecular weight of 157.21 g/mol, XLogP of -0.42, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2-diol is sourced from PubChem (CID 11073680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).