(6Z,8S,8aS)-6-[(2S)-3-hydroxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol

C13H23NO2 — CID 11138810

IUPAC(6Z,8S,8aS)-6-[(2S)-3-hydroxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESC[C@@H](/C=C1\CN2CCC[C@H]2[C@@](C)(O)C1)CO
InChIInChI=1S/C13H23NO2/c1-10(9-15)6-11-7-13(2,16)12-4-3-5-14(12)8-11/h6,10,12,15-16H,3-5,7-9H2,1-2H3/b11-6-/t10-,12-,13-/m0/s1
InChIKeyWVIOCVKUTMTYBR-CSMBFSRRSA-N
MW225.33 g/mol
LogP1.16
Rot. Bonds2

About (6Z,8S,8aS)-6-[(2S)-3-hydroxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol

(6Z,8S,8aS)-6-[(2S)-3-hydroxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol (PubChem CID 11138810) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is (6Z,8S,8aS)-6-[(2S)-3-hydroxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol.

Molecular Properties

Compound Name(6Z,8S,8aS)-6-[(2S)-3-hydroxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
PubChem CID11138810
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name(6Z,8S,8aS)-6-[(2S)-3-hydroxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
SMILESC[C@@H](/C=C1\CN2CCC[C@H]2[C@@](C)(O)C1)CO
InChIInChI=1S/C13H23NO2/c1-10(9-15)6-11-7-13(2,16)12-4-3-5-14(12)8-11/h6,10,12,15-16H,3-5,7-9H2,1-2H3/b11-6-/t10-,12-,13-/m0/s1
InChIKeyWVIOCVKUTMTYBR-CSMBFSRRSA-N
XLogP1.16
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6Z,8S,8aS)-6-[(2S)-3-hydroxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The IUPAC name of (6Z,8S,8aS)-6-[(2S)-3-hydroxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol (CID 11138810) is (6Z,8S,8aS)-6-[(2S)-3-hydroxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol.
What is the SMILES notation for (6Z,8S,8aS)-6-[(2S)-3-hydroxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The canonical SMILES for (6Z,8S,8aS)-6-[(2S)-3-hydroxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol is C[C@@H](/C=C1\CN2CCC[C@H]2[C@@](C)(O)C1)CO.
What is the InChIKey of (6Z,8S,8aS)-6-[(2S)-3-hydroxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
The InChIKey is WVIOCVKUTMTYBR-CSMBFSRRSA-N. The full InChI is InChI=1S/C13H23NO2/c1-10(9-15)6-11-7-13(2,16)12-4-3-5-14(12)8-11/h6,10,12,15-16H,3-5,7-9H2,1-2H3/b11-6-/t10-,12-,13-/m0/s1.
What are the key properties of (6Z,8S,8aS)-6-[(2S)-3-hydroxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol?
(6Z,8S,8aS)-6-[(2S)-3-hydroxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol has a molecular weight of 225.33 g/mol, XLogP of 1.16, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8S,8aS)-6-[(2S)-3-hydroxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol is sourced from PubChem (CID 11138810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).