(1S,2S,8aS)-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

C8H13NO3 — CID 11355741

IUPAC(1S,2S,8aS)-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1CCC[C@H]2[C@H](O)[C@@H](O)CN12
InChIInChI=1S/C8H13NO3/c10-6-4-9-5(8(6)12)2-1-3-7(9)11/h5-6,8,10,12H,1-4H2/t5-,6-,8-/m0/s1
InChIKeyZMZPTBNERGFXGF-HAFWLYHUSA-N
MW171.20 g/mol
LogP-0.90
Rot. Bonds

About (1S,2S,8aS)-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one

(1S,2S,8aS)-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (PubChem CID 11355741) has the molecular formula C8H13NO3 and a molecular weight of 171.20 g/mol. Its IUPAC name is (1S,2S,8aS)-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.

Molecular Properties

Compound Name(1S,2S,8aS)-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
PubChem CID11355741
Molecular FormulaC8H13NO3
Molecular Weight171.20 g/mol
Exact Mass171.09
IUPAC Name(1S,2S,8aS)-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
SMILESO=C1CCC[C@H]2[C@H](O)[C@@H](O)CN12
InChIInChI=1S/C8H13NO3/c10-6-4-9-5(8(6)12)2-1-3-7(9)11/h5-6,8,10,12H,1-4H2/t5-,6-,8-/m0/s1
InChIKeyZMZPTBNERGFXGF-HAFWLYHUSA-N
XLogP-0.90
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.20
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1S,2S,8aS)-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one with MolForge

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Related Compounds

5(1H)-Indolizinone, hexahydro-8-hydroxy-, (8R,8aS)-(9CI)
CID 11051886
8-Hydroxy-5-indolizidinone
CID 72969522
(1S,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10702043
(1s,2r,8s,8Ar)-1,2,8-trihydroxy-5-oxo octahydroindolizine
CID 13589443
(8r,8Ar)-8-hydroxy-5-indolizidinone
CID 15308054
(6S,7S,8S,8aR)-6,7,8-trihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 57385439
(1S,8aR)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 102088326
(3R,8S,8aS)-3-ethyl-8-hydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 134969996
(1R,8aS)-1-hydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10964740
(1S,2S,8aS)-1,2-dihydroxy-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 11041160
7-hydroxyhexahydroindolizin-3(2H)-one
CID 12395867
1-hydroxyhexahydroindolizin-3(2H)-one
CID 14036619

Frequently Asked Questions

What is the IUPAC name of (1S,2S,8aS)-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The IUPAC name of (1S,2S,8aS)-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one (CID 11355741) is (1S,2S,8aS)-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one.
What is the SMILES notation for (1S,2S,8aS)-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The canonical SMILES for (1S,2S,8aS)-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is O=C1CCC[C@H]2[C@H](O)[C@@H](O)CN12.
What is the InChIKey of (1S,2S,8aS)-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
The InChIKey is ZMZPTBNERGFXGF-HAFWLYHUSA-N. The full InChI is InChI=1S/C8H13NO3/c10-6-4-9-5(8(6)12)2-1-3-7(9)11/h5-6,8,10,12H,1-4H2/t5-,6-,8-/m0/s1.
What are the key properties of (1S,2S,8aS)-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one?
(1S,2S,8aS)-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one has a molecular weight of 171.20 g/mol, XLogP of -0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,8aS)-1,2-dihydroxy-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one is sourced from PubChem (CID 11355741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).