(7S,8S,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol

C11H19NO — CID 102063177

IUPAC(7S,8S,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
SMILESC=C(C)[C@@H]1CCN2CCC[C@@H]2[C@H]1O
InChIInChI=1S/C11H19NO/c1-8(2)9-5-7-12-6-3-4-10(12)11(9)13/h9-11,13H,1,3-7H2,2H3/t9-,10+,11-/m0/s1
InChIKeySMYLAFFSRQDQMC-AXFHLTTASA-N
MW181.28 g/mol
LogP1.41
Rot. Bonds1

About (7S,8S,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol

(7S,8S,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol (PubChem CID 102063177) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is (7S,8S,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol.

Molecular Properties

Compound Name(7S,8S,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
PubChem CID102063177
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name(7S,8S,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
SMILESC=C(C)[C@@H]1CCN2CCC[C@@H]2[C@H]1O
InChIInChI=1S/C11H19NO/c1-8(2)9-5-7-12-6-3-4-10(12)11(9)13/h9-11,13H,1,3-7H2,2H3/t9-,10+,11-/m0/s1
InChIKeySMYLAFFSRQDQMC-AXFHLTTASA-N
XLogP1.41
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(6Z,8S,8aS)-6-[(2R)-5-hydroxy-2-methylhexylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 13995831
(6Z,8S,8aS)-6-[(2R)-4-hydroxy-2-methylbutylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 13921284
(6Z,8S,8aS)-6-[(2S)-4-hydroxy-2-methylbutylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 13921285
Pumiliotoxin 237A
CID 6443202
(8S,Z)-6-((2R,E)-6-Hydroxy-2,5-dimethylhept-4-en-1-ylidene)-8-methyloctahydroindolizin-8-ol
CID 91724242
(8R,8aR)-6-methylidene-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol
CID 5323918
Pumiliotoxin 309a
CID 5366187
(8S,8aS,Z)-6-((2R)-5-Hydroxy-2-methylhexylidene)-8-methyloctahydroindolizin-8-ol
CID 5366188
(6Z,8R,8aS)-6-(2-methylpropylidene)-2,3,5,7,8,8a-hexahydro-1H-indolizin-8-ol
CID 10976392
(6Z,8S,8aS)-6-[(2S)-3-hydroxy-2-methylpropylidene]-8-methyl-1,2,3,5,7,8a-hexahydroindolizin-8-ol
CID 11138810
(8S,Z)-8-Methyl-6-(2-methylpropylidene)octahydroindolizin-8-ol
CID 14863816
(7R,8S,8aS)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol
CID 21598230

Frequently Asked Questions

What is the IUPAC name of (7S,8S,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The IUPAC name of (7S,8S,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol (CID 102063177) is (7S,8S,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol.
What is the SMILES notation for (7S,8S,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The canonical SMILES for (7S,8S,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol is C=C(C)[C@@H]1CCN2CCC[C@@H]2[C@H]1O.
What is the InChIKey of (7S,8S,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
The InChIKey is SMYLAFFSRQDQMC-AXFHLTTASA-N. The full InChI is InChI=1S/C11H19NO/c1-8(2)9-5-7-12-6-3-4-10(12)11(9)13/h9-11,13H,1,3-7H2,2H3/t9-,10+,11-/m0/s1.
What are the key properties of (7S,8S,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol?
(7S,8S,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol has a molecular weight of 181.28 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (7S,8S,8aR)-7-prop-1-en-2-yl-1,2,3,5,6,7,8,8a-octahydroindolizin-8-ol is sourced from PubChem (CID 102063177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).