(8S,8aR)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one

C9H15NO3 — CID 10726184

IUPAC(8S,8aR)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
SMILESO=C1CC[C@@]2(O)[C@H](CO)CCCN12
InChIInChI=1S/C9H15NO3/c11-6-7-2-1-5-10-8(12)3-4-9(7,10)13/h7,11,13H,1-6H2/t7-,9+/m0/s1
InChIKeyKGZRZIXNTTZVCN-IONNQARKSA-N
MW185.22 g/mol
LogP-0.30
Rot. Bonds1

About (8S,8aR)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one

(8S,8aR)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one (PubChem CID 10726184) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is (8S,8aR)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one.

Molecular Properties

Compound Name(8S,8aR)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
PubChem CID10726184
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name(8S,8aR)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one
SMILESO=C1CC[C@@]2(O)[C@H](CO)CCCN12
InChIInChI=1S/C9H15NO3/c11-6-7-2-1-5-10-8(12)3-4-9(7,10)13/h7,11,13H,1-6H2/t7-,9+/m0/s1
InChIKeyKGZRZIXNTTZVCN-IONNQARKSA-N
XLogP-0.30
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 85303594
(8S,8aR)-8a-hydroxy-8-[tri(propan-2-yl)silyloxymethyl]-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 10569267
(8S,8aS)-8-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10749651
(8R,8aS)-8-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10773453
(8R,8aR)-8a-hydroxy-8-methyl-1,2,5,6,7,8-hexahydroindolizin-3-one
CID 101002229
(8R,8aS)-8-(hydroxymethyl)-7,7-dimethyl-1,2,5,6,8,8a-hexahydroindolizin-3-one
CID 130963611
(8S,8aR)-8-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 131042209
1-(hydroxymethyl)-2,3,6,7,8,8a-hexahydro-1H-indolizin-5-one
CID 69405570
(6R,8aS)-6-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 121456244
(8S,8aS)-7-hydroxy-8-methyl-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10511337
8a-hydroxy-8-methylhexahydro-3(2H)-indolizinone
CID 10855904
(1S,8aS)-1-(hydroxymethyl)-2,5,6,7,8,8a-hexahydro-1H-indolizin-3-one
CID 10888327

Frequently Asked Questions

What is the IUPAC name of (8S,8aR)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one?
The IUPAC name of (8S,8aR)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one (CID 10726184) is (8S,8aR)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one.
What is the SMILES notation for (8S,8aR)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one?
The canonical SMILES for (8S,8aR)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one is O=C1CC[C@@]2(O)[C@H](CO)CCCN12.
What is the InChIKey of (8S,8aR)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one?
The InChIKey is KGZRZIXNTTZVCN-IONNQARKSA-N. The full InChI is InChI=1S/C9H15NO3/c11-6-7-2-1-5-10-8(12)3-4-9(7,10)13/h7,11,13H,1-6H2/t7-,9+/m0/s1.
What are the key properties of (8S,8aR)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one?
(8S,8aR)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one has a molecular weight of 185.22 g/mol, XLogP of -0.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8S,8aR)-8a-hydroxy-8-(hydroxymethyl)-1,2,5,6,7,8-hexahydroindolizin-3-one is sourced from PubChem (CID 10726184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).