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

C8H13NO4 — CID 57036186

IUPAC1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol
SMILESOC1C=CC(O)N2CC(O)C(O)C12
InChIInChI=1S/C8H13NO4/c10-4-1-2-6(12)9-3-5(11)8(13)7(4)9/h1-2,4-8,10-13H,3H2
InChIKeyUGEFLCFIEQOKDQ-UHFFFAOYSA-N
MW187.19 g/mol
LogP-2.36
Rot. Bonds

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

1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol (PubChem CID 57036186) has the molecular formula C8H13NO4 and a molecular weight of 187.19 g/mol. Its IUPAC name is 1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol.

Molecular Properties

Compound Name1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol
PubChem CID57036186
Molecular FormulaC8H13NO4
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol
SMILESOC1C=CC(O)N2CC(O)C(O)C12
InChIInChI=1S/C8H13NO4/c10-4-1-2-6(12)9-3-5(11)8(13)7(4)9/h1-2,4-8,10-13H,3H2
InChIKeyUGEFLCFIEQOKDQ-UHFFFAOYSA-N
XLogP-2.36
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 5-2.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(1S,2R,8R,8aR)-1,2,8-trihydroxy-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 11106035
(1S,2S,8R,8aR)-1,2,8-trihydroxy-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 56986731
(1S,2R,8R,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol
CID 67707947
(8R,8aS)-1,2,3,5,8,8a-hexahydroindolizin-8-ol
CID 10374532
(1R,2S,8S,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2,8-triol
CID 10797262
(1S,2S,8AS)-1,2,3,5,8,8a-hexahydroindolizine-1,2-diol
CID 11073649
(1S,2S,8aR)-1,2,3,5,8,8a-hexahydroindolizine-1,2-diol
CID 11804994
7-Methoxy-8-methyl-8-azabicyclo[3.2.1]oct-3-ene-2,6-diol
CID 14430944
1,2,8-trihydroxy-2,3,8,8a-tetrahydro-1H-indolizin-5-one
CID 19045973
(1S,2R,8aS)-1,2,3,5,8,8a-hexahydroindolizine-1,2-diol
CID 24755876
1,2,3,5,8,8a-Hexahydroindolizine-1,2-diol
CID 71437967
1,2,3,5,8,8a-Hexahydroindolizin-8-ol
CID 85125732

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol?
The IUPAC name of 1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol (CID 57036186) is 1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol.
What is the SMILES notation for 1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol?
The canonical SMILES for 1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol is OC1C=CC(O)N2CC(O)C(O)C12.
What is the InChIKey of 1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol?
The InChIKey is UGEFLCFIEQOKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO4/c10-4-1-2-6(12)9-3-5(11)8(13)7(4)9/h1-2,4-8,10-13H,3H2.
What are the key properties of 1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol?
1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol has a molecular weight of 187.19 g/mol, XLogP of -2.36, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,8,8a-hexahydroindolizine-1,2,5,8-tetrol is sourced from PubChem (CID 57036186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).