(1R,3S,8aR)-3-[(Z)-2-iodoethenyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol

C10H16INO — CID 102036322

IUPAC(1R,3S,8aR)-3-[(Z)-2-iodoethenyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
SMILESO[C@@H]1C[C@@H](/C=C\I)N2CCCC[C@H]12
InChIInChI=1S/C10H16INO/c11-5-4-8-7-10(13)9-3-1-2-6-12(8)9/h4-5,8-10,13H,1-3,6-7H2/b5-4-/t8-,9-,10-/m1/s1
InChIKeyAHGPTBXKUNCMTE-ANOCTECISA-N
MW293.15 g/mol
LogP1.92
Rot. Bonds1

About (1R,3S,8aR)-3-[(Z)-2-iodoethenyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol

(1R,3S,8aR)-3-[(Z)-2-iodoethenyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol (PubChem CID 102036322) has the molecular formula C10H16INO and a molecular weight of 293.15 g/mol. Its IUPAC name is (1R,3S,8aR)-3-[(Z)-2-iodoethenyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol.

Molecular Properties

Compound Name(1R,3S,8aR)-3-[(Z)-2-iodoethenyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
PubChem CID102036322
Molecular FormulaC10H16INO
Molecular Weight293.15 g/mol
Exact Mass293.03
IUPAC Name(1R,3S,8aR)-3-[(Z)-2-iodoethenyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
SMILESO[C@@H]1C[C@@H](/C=C\I)N2CCCC[C@H]12
InChIInChI=1S/C10H16INO/c11-5-4-8-7-10(13)9-3-1-2-6-12(8)9/h4-5,8-10,13H,1-3,6-7H2/b5-4-/t8-,9-,10-/m1/s1
InChIKeyAHGPTBXKUNCMTE-ANOCTECISA-N
XLogP1.92
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1R,8aS)-2-methylidene-3,5,6,7,8,8a-hexahydro-1H-indolizin-1-ol
CID 135036729
(1R,3S,8aS)-3-[(Z)-but-1-en-3-ynyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol
CID 138966395
(2S,3S,8aR)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol
CID 139195361
(5S,6S,8aR)-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol
CID 139195362
3-Prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol
CID 5231831
5-Prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol
CID 5231832
(2R,3R,8aS)-3-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-ol
CID 10976110
(5R,6R,8aS)-5-prop-2-enyl-1,2,3,5,6,7,8,8a-octahydroindolizin-6-ol
CID 12087832

Frequently Asked Questions

What is the IUPAC name of (1R,3S,8aR)-3-[(Z)-2-iodoethenyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol?
The IUPAC name of (1R,3S,8aR)-3-[(Z)-2-iodoethenyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol (CID 102036322) is (1R,3S,8aR)-3-[(Z)-2-iodoethenyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol.
What is the SMILES notation for (1R,3S,8aR)-3-[(Z)-2-iodoethenyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol?
The canonical SMILES for (1R,3S,8aR)-3-[(Z)-2-iodoethenyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol is O[C@@H]1C[C@@H](/C=C\I)N2CCCC[C@H]12.
What is the InChIKey of (1R,3S,8aR)-3-[(Z)-2-iodoethenyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol?
The InChIKey is AHGPTBXKUNCMTE-ANOCTECISA-N. The full InChI is InChI=1S/C10H16INO/c11-5-4-8-7-10(13)9-3-1-2-6-12(8)9/h4-5,8-10,13H,1-3,6-7H2/b5-4-/t8-,9-,10-/m1/s1.
What are the key properties of (1R,3S,8aR)-3-[(Z)-2-iodoethenyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol?
(1R,3S,8aR)-3-[(Z)-2-iodoethenyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol has a molecular weight of 293.15 g/mol, XLogP of 1.92, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3S,8aR)-3-[(Z)-2-iodoethenyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-ol is sourced from PubChem (CID 102036322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).