8-ethyl-5-[(2Z)-penta-2,4-dienyl]-1,2,3,5,6,7,8,8a-octahydroindolizine

C15H25N — CID 91721266

IUPAC8-ethyl-5-[(2Z)-penta-2,4-dienyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC=C/C=C\CC1CCC(CC)C2CCCN12
InChIInChI=1S/C15H25N/c1-3-5-6-8-14-11-10-13(4-2)15-9-7-12-16(14)15/h3,5-6,13-15H,1,4,7-12H2,2H3/b6-5-
InChIKeyJVEDJXLLDSQAER-WAYWQWQTSA-N
MW219.37 g/mol
LogP3.77
Rot. Bonds4

About 8-ethyl-5-[(2Z)-penta-2,4-dienyl]-1,2,3,5,6,7,8,8a-octahydroindolizine

8-ethyl-5-[(2Z)-penta-2,4-dienyl]-1,2,3,5,6,7,8,8a-octahydroindolizine (PubChem CID 91721266) has the molecular formula C15H25N and a molecular weight of 219.37 g/mol. Its IUPAC name is 8-ethyl-5-[(2Z)-penta-2,4-dienyl]-1,2,3,5,6,7,8,8a-octahydroindolizine.

Molecular Properties

Compound Name8-ethyl-5-[(2Z)-penta-2,4-dienyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
PubChem CID91721266
Molecular FormulaC15H25N
Molecular Weight219.37 g/mol
Exact Mass219.20
IUPAC Name8-ethyl-5-[(2Z)-penta-2,4-dienyl]-1,2,3,5,6,7,8,8a-octahydroindolizine
SMILESC=C/C=C\CC1CCC(CC)C2CCCN12
InChIInChI=1S/C15H25N/c1-3-5-6-8-14-11-10-13(4-2)15-9-7-12-16(14)15/h3,5-6,13-15H,1,4,7-12H2,2H3/b6-5-
InChIKeyJVEDJXLLDSQAER-WAYWQWQTSA-N
XLogP3.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.37
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-ethyl-5-[(2Z)-penta-2,4-dienyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The IUPAC name of 8-ethyl-5-[(2Z)-penta-2,4-dienyl]-1,2,3,5,6,7,8,8a-octahydroindolizine (CID 91721266) is 8-ethyl-5-[(2Z)-penta-2,4-dienyl]-1,2,3,5,6,7,8,8a-octahydroindolizine.
What is the SMILES notation for 8-ethyl-5-[(2Z)-penta-2,4-dienyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The canonical SMILES for 8-ethyl-5-[(2Z)-penta-2,4-dienyl]-1,2,3,5,6,7,8,8a-octahydroindolizine is C=C/C=C\CC1CCC(CC)C2CCCN12.
What is the InChIKey of 8-ethyl-5-[(2Z)-penta-2,4-dienyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
The InChIKey is JVEDJXLLDSQAER-WAYWQWQTSA-N. The full InChI is InChI=1S/C15H25N/c1-3-5-6-8-14-11-10-13(4-2)15-9-7-12-16(14)15/h3,5-6,13-15H,1,4,7-12H2,2H3/b6-5-.
What are the key properties of 8-ethyl-5-[(2Z)-penta-2,4-dienyl]-1,2,3,5,6,7,8,8a-octahydroindolizine?
8-ethyl-5-[(2Z)-penta-2,4-dienyl]-1,2,3,5,6,7,8,8a-octahydroindolizine has a molecular weight of 219.37 g/mol, XLogP of 3.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethyl-5-[(2Z)-penta-2,4-dienyl]-1,2,3,5,6,7,8,8a-octahydroindolizine is sourced from PubChem (CID 91721266), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).