1-(5-hydroxy-7-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)ethanone

C15H27NO2 — CID 57245572

IUPAC1-(5-hydroxy-7-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)ethanone
SMILESCCCCCC1CC(O)N2CC(C(C)=O)CC2C1
InChIInChI=1S/C15H27NO2/c1-3-4-5-6-12-7-14-9-13(11(2)17)10-16(14)15(18)8-12/h12-15,18H,3-10H2,1-2H3
InChIKeyBGNYPWHCSICDDW-UHFFFAOYSA-N
MW253.39 g/mol
LogP2.57
Rot. Bonds5

About 1-(5-hydroxy-7-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)ethanone

1-(5-hydroxy-7-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)ethanone (PubChem CID 57245572) has the molecular formula C15H27NO2 and a molecular weight of 253.39 g/mol. Its IUPAC name is 1-(5-hydroxy-7-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)ethanone.

Molecular Properties

Compound Name1-(5-hydroxy-7-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)ethanone
PubChem CID57245572
Molecular FormulaC15H27NO2
Molecular Weight253.39 g/mol
Exact Mass253.20
IUPAC Name1-(5-hydroxy-7-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)ethanone
SMILESCCCCCC1CC(O)N2CC(C(C)=O)CC2C1
InChIInChI=1S/C15H27NO2/c1-3-4-5-6-12-7-14-9-13(11(2)17)10-16(14)15(18)8-12/h12-15,18H,3-10H2,1-2H3
InChIKeyBGNYPWHCSICDDW-UHFFFAOYSA-N
XLogP2.57
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.39
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxy-7-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)ethanone?
The IUPAC name of 1-(5-hydroxy-7-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)ethanone (CID 57245572) is 1-(5-hydroxy-7-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)ethanone.
What is the SMILES notation for 1-(5-hydroxy-7-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)ethanone?
The canonical SMILES for 1-(5-hydroxy-7-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)ethanone is CCCCCC1CC(O)N2CC(C(C)=O)CC2C1.
What is the InChIKey of 1-(5-hydroxy-7-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)ethanone?
The InChIKey is BGNYPWHCSICDDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO2/c1-3-4-5-6-12-7-14-9-13(11(2)17)10-16(14)15(18)8-12/h12-15,18H,3-10H2,1-2H3.
What are the key properties of 1-(5-hydroxy-7-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)ethanone?
1-(5-hydroxy-7-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)ethanone has a molecular weight of 253.39 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxy-7-pentyl-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl)ethanone is sourced from PubChem (CID 57245572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).