(1R,8S,8aS)-1-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol

C9H17NO2 — CID 102464087

IUPAC(1R,8S,8aS)-1-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
SMILESOC[C@@H]1CCN2CCC[C@H](O)[C@H]12
InChIInChI=1S/C9H17NO2/c11-6-7-3-5-10-4-1-2-8(12)9(7)10/h7-9,11-12H,1-6H2/t7-,8-,9-/m0/s1
InChIKeyRVMASEUWDOTXML-CIUDSAMLSA-N
MW171.24 g/mol
LogP-0.18
Rot. Bonds1

About (1R,8S,8aS)-1-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol

(1R,8S,8aS)-1-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol (PubChem CID 102464087) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is (1R,8S,8aS)-1-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol.

Molecular Properties

Compound Name(1R,8S,8aS)-1-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
PubChem CID102464087
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name(1R,8S,8aS)-1-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
SMILESOC[C@@H]1CCN2CCC[C@H](O)[C@H]12
InChIInChI=1S/C9H17NO2/c11-6-7-3-5-10-4-1-2-8(12)9(7)10/h7-9,11-12H,1-6H2/t7-,8-,9-/m0/s1
InChIKeyRVMASEUWDOTXML-CIUDSAMLSA-N
XLogP-0.18
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (1R,8S,8aS)-1-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol with MolForge

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Related Compounds

1-cyclobutyl-4-(hydroxymethyl)piperidin-3-ol
CID 126987363
(2R,8R,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
CID 57320180
[(8S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl]methanol
CID 11019091
(1R,2R,3R,8S,8aR)-3-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizine-1,2,8-triol
CID 10774503
(1S,2S,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 15188056
(1R,2R,3R)-3-methyl-2-pyrrolidin-1-ylcyclohexan-1-ol
CID 15188055
(1S,2S,8R)-1-(hydroxymethyl)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-2-ol
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CID 58117124
(1S,2S,3S)-3-(hydroxymethyl)cyclohexane-1,2-diol
CID 161165150
(1-phenyl-3,4,6,7,8,8a-hexahydro-2H-pyrrolo[1,2-a]pyrimidin-8-yl)methanol
CID 66808184
(1S,2R,3R)-3-methoxy-2-pyrrolidin-1-ylcyclohexan-1-ol
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(3S,4S)-4-(hydroxymethyl)-1-propan-2-ylpiperidin-3-ol
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Frequently Asked Questions

What is the IUPAC name of (1R,8S,8aS)-1-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The IUPAC name of (1R,8S,8aS)-1-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol (CID 102464087) is (1R,8S,8aS)-1-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol.
What is the SMILES notation for (1R,8S,8aS)-1-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The canonical SMILES for (1R,8S,8aS)-1-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol is OC[C@@H]1CCN2CCC[C@H](O)[C@H]12.
What is the InChIKey of (1R,8S,8aS)-1-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The InChIKey is RVMASEUWDOTXML-CIUDSAMLSA-N. The full InChI is InChI=1S/C9H17NO2/c11-6-7-3-5-10-4-1-2-8(12)9(7)10/h7-9,11-12H,1-6H2/t7-,8-,9-/m0/s1.
What are the key properties of (1R,8S,8aS)-1-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
(1R,8S,8aS)-1-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol has a molecular weight of 171.24 g/mol, XLogP of -0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S,8aS)-1-(hydroxymethyl)-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol is sourced from PubChem (CID 102464087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).