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

C8H15NO4 — CID 72828543

IUPAC1,2,3,5,6,7,8,8a-octahydroindolizine-2,6,7,8-tetrol
SMILESOC1CC2C(O)C(O)C(O)CN2C1
InChIInChI=1S/C8H15NO4/c10-4-1-5-7(12)8(13)6(11)3-9(5)2-4/h4-8,10-13H,1-3H2
InChIKeyMNNOKBSJCAXWAP-UHFFFAOYSA-N
MW189.21 g/mol
LogP-2.48
Rot. Bonds

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

1,2,3,5,6,7,8,8a-octahydroindolizine-2,6,7,8-tetrol (PubChem CID 72828543) has the molecular formula C8H15NO4 and a molecular weight of 189.21 g/mol. Its IUPAC name is 1,2,3,5,6,7,8,8a-octahydroindolizine-2,6,7,8-tetrol.

Molecular Properties

Compound Name1,2,3,5,6,7,8,8a-octahydroindolizine-2,6,7,8-tetrol
PubChem CID72828543
Molecular FormulaC8H15NO4
Molecular Weight189.21 g/mol
Exact Mass189.10
IUPAC Name1,2,3,5,6,7,8,8a-octahydroindolizine-2,6,7,8-tetrol
SMILESOC1CC2C(O)C(O)C(O)CN2C1
InChIInChI=1S/C8H15NO4/c10-4-1-5-7(12)8(13)6(11)3-9(5)2-4/h4-8,10-13H,1-3H2
InChIKeyMNNOKBSJCAXWAP-UHFFFAOYSA-N
XLogP-2.48
TPSA84.16 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.21
LogP ≤ 5-2.48
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1,2,3,5,6,7,8,8a-octahydroindolizine-2,6,7,8-tetrol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(1S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,6,8-tetrol
CID 67721866
(3S,4R,5R,6R)-1-azabicyclo[4.2.0]octane-3,4,5-triol
CID 46862440
(6R,7S,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-6,7,8-triol
CID 11401041
(2R,8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-2,8-diol
CID 10820830
(1S,2S,3R,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine-1,2,3-triol
CID 11183076
(1S,2S,6R,7R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,6,7-tetrol
CID 89102266
1-azabicyclo[3.1.0]hexan-3-ol
CID 178124587
(1S,6S,7S,8R)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
CID 130756850
(1S,6S,8S)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,8-triol
CID 14655858
(1S,6R,7R,8R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,6,7,8-tetrol
CID 11052417
(1S,2R,7S,8aS)-5,5-dimethyl-2,3,6,7,8,8a-hexahydro-1H-indolizine-1,2,7-triol
CID 132605247
(2R,7R,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizine-1,2,7-triol
CID 153057468

Frequently Asked Questions

What is the IUPAC name of 1,2,3,5,6,7,8,8a-octahydroindolizine-2,6,7,8-tetrol?
The IUPAC name of 1,2,3,5,6,7,8,8a-octahydroindolizine-2,6,7,8-tetrol (CID 72828543) is 1,2,3,5,6,7,8,8a-octahydroindolizine-2,6,7,8-tetrol.
What is the SMILES notation for 1,2,3,5,6,7,8,8a-octahydroindolizine-2,6,7,8-tetrol?
The canonical SMILES for 1,2,3,5,6,7,8,8a-octahydroindolizine-2,6,7,8-tetrol is OC1CC2C(O)C(O)C(O)CN2C1.
What is the InChIKey of 1,2,3,5,6,7,8,8a-octahydroindolizine-2,6,7,8-tetrol?
The InChIKey is MNNOKBSJCAXWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO4/c10-4-1-5-7(12)8(13)6(11)3-9(5)2-4/h4-8,10-13H,1-3H2.
What are the key properties of 1,2,3,5,6,7,8,8a-octahydroindolizine-2,6,7,8-tetrol?
1,2,3,5,6,7,8,8a-octahydroindolizine-2,6,7,8-tetrol has a molecular weight of 189.21 g/mol, XLogP of -2.48, 0 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,5,6,7,8,8a-octahydroindolizine-2,6,7,8-tetrol is sourced from PubChem (CID 72828543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).