(5S,8aR)-5-[(E)-dec-2-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine

C18H33N — CID 10355411

IUPAC(5S,8aR)-5-[(E)-dec-2-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCCCCC/C=C/C[C@@H]1CCC[C@@H]2CCCN21
InChIInChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-12-17-13-10-14-18-15-11-16-19(17)18/h8-9,17-18H,2-7,10-16H2,1H3/b9-8+/t17-,18-/m1/s1
InChIKeyKUOHEKAUFRUGAR-RKQNLGICSA-N
MW263.47 g/mol
LogP5.31
Rot. Bonds8

About (5S,8aR)-5-[(E)-dec-2-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine

(5S,8aR)-5-[(E)-dec-2-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 10355411) has the molecular formula C18H33N and a molecular weight of 263.47 g/mol. Its IUPAC name is (5S,8aR)-5-[(E)-dec-2-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name(5S,8aR)-5-[(E)-dec-2-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID10355411
Molecular FormulaC18H33N
Molecular Weight263.47 g/mol
Exact Mass263.26
IUPAC Name(5S,8aR)-5-[(E)-dec-2-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESCCCCCCC/C=C/C[C@@H]1CCC[C@@H]2CCCN21
InChIInChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-12-17-13-10-14-18-15-11-16-19(17)18/h8-9,17-18H,2-7,10-16H2,1H3/b9-8+/t17-,18-/m1/s1
InChIKeyKUOHEKAUFRUGAR-RKQNLGICSA-N
XLogP5.31
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500263.47
LogP ≤ 55.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S,8aR)-5-[(E)-dec-2-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of (5S,8aR)-5-[(E)-dec-2-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 10355411) is (5S,8aR)-5-[(E)-dec-2-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for (5S,8aR)-5-[(E)-dec-2-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for (5S,8aR)-5-[(E)-dec-2-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine is CCCCCCC/C=C/C[C@@H]1CCC[C@@H]2CCCN21.
What is the InChIKey of (5S,8aR)-5-[(E)-dec-2-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is KUOHEKAUFRUGAR-RKQNLGICSA-N. The full InChI is InChI=1S/C18H33N/c1-2-3-4-5-6-7-8-9-12-17-13-10-14-18-15-11-16-19(17)18/h8-9,17-18H,2-7,10-16H2,1H3/b9-8+/t17-,18-/m1/s1.
What are the key properties of (5S,8aR)-5-[(E)-dec-2-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
(5S,8aR)-5-[(E)-dec-2-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 263.47 g/mol, XLogP of 5.31, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8aR)-5-[(E)-dec-2-enyl]-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 10355411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).