(1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol

C8H15NO3 — CID 11148002

IUPAC(1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol
SMILESO[C@@H]1CCN2C[C@@H](O)[C@@H](O)C[C@H]12
InChIInChI=1S/C8H15NO3/c10-6-1-2-9-4-8(12)7(11)3-5(6)9/h5-8,10-12H,1-4H2/t5-,6-,7+,8-/m1/s1
InChIKeyYQBICENSSDPSNF-OOJXKGFFSA-N
MW173.21 g/mol
LogP-1.45
Rot. Bonds

About (1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol

(1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol (PubChem CID 11148002) has the molecular formula C8H15NO3 and a molecular weight of 173.21 g/mol. Its IUPAC name is (1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol.

Molecular Properties

Compound Name(1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol
PubChem CID11148002
Molecular FormulaC8H15NO3
Molecular Weight173.21 g/mol
Exact Mass173.11
IUPAC Name(1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol
SMILESO[C@@H]1CCN2C[C@@H](O)[C@@H](O)C[C@H]12
InChIInChI=1S/C8H15NO3/c10-6-1-2-9-4-8(12)7(11)3-5(6)9/h5-8,10-12H,1-4H2/t5-,6-,7+,8-/m1/s1
InChIKeyYQBICENSSDPSNF-OOJXKGFFSA-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

Analyze (1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol with MolForge

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Related Compounds

(3S,4R,5R,6R)-1-azabicyclo[4.2.0]octane-3,4,5-triol
CID 46862440
(2R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2,8-diol
CID 10820830
2-(3-methylpyrrolidin-1-yl)-4-propan-2-ylcyclohexan-1-ol
CID 62707731
(2R,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 153057468
(1R,2S,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 11252155
(1R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,7,8-tetrol
CID 143167608
(3R,4S)-1-(2-hydroxycyclopentyl)pyrrolidine-3,4-diol
CID 115278432
2-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)-4-propan-2-ylcyclohexan-1-ol
CID 79174564
(1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol
CID 14655858
(1S,6S,7S,8R)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
CID 130756850
(1S,6R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
CID 11052417
trans-(1R,2R)-2-(3-methylpyrrolidin-1-yl)cyclopentan-1-ol
CID 102734436

Frequently Asked Questions

What is the IUPAC name of (1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol?
The IUPAC name of (1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol (CID 11148002) is (1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol.
What is the SMILES notation for (1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol?
The canonical SMILES for (1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol is O[C@@H]1CCN2C[C@@H](O)[C@@H](O)C[C@H]12.
What is the InChIKey of (1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol?
The InChIKey is YQBICENSSDPSNF-OOJXKGFFSA-N. The full InChI is InChI=1S/C8H15NO3/c10-6-1-2-9-4-8(12)7(11)3-5(6)9/h5-8,10-12H,1-4H2/t5-,6-,7+,8-/m1/s1.
What are the key properties of (1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol?
(1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-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 (1R,6R,7S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7-triol is sourced from PubChem (CID 11148002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).