(8-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl) acetate

C12H20N2O3 — CID 131884886

IUPAC(8-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl) acetate
SMILESCC(=O)NC1CCCN2CCC(OC(C)=O)C12
InChIInChI=1S/C12H20N2O3/c1-8(15)13-10-4-3-6-14-7-5-11(12(10)14)17-9(2)16/h10-12H,3-7H2,1-2H3,(H,13,15)
InChIKeyYYEUWUNQXHRQMI-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.29
Rot. Bonds2

About (8-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl) acetate

(8-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl) acetate (PubChem CID 131884886) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is (8-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl) acetate.

Molecular Properties

Compound Name(8-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl) acetate
PubChem CID131884886
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name(8-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl) acetate
SMILESCC(=O)NC1CCCN2CCC(OC(C)=O)C12
InChIInChI=1S/C12H20N2O3/c1-8(15)13-10-4-3-6-14-7-5-11(12(10)14)17-9(2)16/h10-12H,3-7H2,1-2H3,(H,13,15)
InChIKeyYYEUWUNQXHRQMI-UHFFFAOYSA-N
XLogP0.29
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (8-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl) acetate?
The IUPAC name of (8-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl) acetate (CID 131884886) is (8-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl) acetate.
What is the SMILES notation for (8-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl) acetate?
The canonical SMILES for (8-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl) acetate is CC(=O)NC1CCCN2CCC(OC(C)=O)C12.
What is the InChIKey of (8-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl) acetate?
The InChIKey is YYEUWUNQXHRQMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-8(15)13-10-4-3-6-14-7-5-11(12(10)14)17-9(2)16/h10-12H,3-7H2,1-2H3,(H,13,15).
What are the key properties of (8-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl) acetate?
(8-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl) acetate has a molecular weight of 240.30 g/mol, XLogP of 0.29, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8-acetamido-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl) acetate is sourced from PubChem (CID 131884886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).