[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate

C10H17NO2 — CID 163010677

IUPAC[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate
SMILESCC(=O)O[C@@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C10H17NO2/c1-8(12)13-10-5-7-11-6-3-2-4-9(10)11/h9-10H,2-7H2,1H3/t9-,10+/m0/s1
InChIKeyJYAWVBFUJBVQLF-VHSXEESVSA-N
MW183.25 g/mol
LogP1.18
Rot. Bonds1

About [(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate

[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate (PubChem CID 163010677) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is [(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate.

Molecular Properties

Compound Name[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate
PubChem CID163010677
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate
SMILESCC(=O)O[C@@H]1CCN2CCCC[C@@H]12
InChIInChI=1S/C10H17NO2/c1-8(12)13-10-5-7-11-6-3-2-4-9(10)11/h9-10H,2-7H2,1H3/t9-,10+/m0/s1
InChIKeyJYAWVBFUJBVQLF-VHSXEESVSA-N
XLogP1.18
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate with MolForge

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Related Compounds

Slaframine
CID 88363
6-Acetoxy-8-methyl-8-azonia-bicyclo[3.2.1]octane
CID 10035281
Propionic acid 8-methyl-8-aza-bicyclo[3.2.1]oct-6-yl ester
CID 44318817
(8-Methyl-8-azabicyclo[3.2.1]octan-6-yl) butanoate
CID 44318768
[(1S,2R,8R,8aR)-1,2-diacetyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-8-yl] acetate
CID 11822669
6-Aminooctahydroindolizin-1-yl acetate
CID 9794202
(-)-Slaframine
CID 49787007
[(1S,2R,8aS)-1-acetyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl] acetate
CID 13308893
[(6S,7S,8R,8aR)-7,8-diacetyloxy-6-fluoro-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate
CID 134934374
(1S,8aS)-1-Ethylhexahydro-3H-[1,3]oxazolo[3,4-a]pyridin-3-one
CID 71410382
1-ethyl-3,5,6,7,8,8a-hexahydro-1H-[1,3]oxazolo[3,4-a]pyridine
CID 335671
(1-Acetyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl) acetate
CID 13308888

Frequently Asked Questions

What is the IUPAC name of [(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate?
The IUPAC name of [(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate (CID 163010677) is [(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate.
What is the SMILES notation for [(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate?
The canonical SMILES for [(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate is CC(=O)O[C@@H]1CCN2CCCC[C@@H]12.
What is the InChIKey of [(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate?
The InChIKey is JYAWVBFUJBVQLF-VHSXEESVSA-N. The full InChI is InChI=1S/C10H17NO2/c1-8(12)13-10-5-7-11-6-3-2-4-9(10)11/h9-10H,2-7H2,1H3/t9-,10+/m0/s1.
What are the key properties of [(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate?
[(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate has a molecular weight of 183.25 g/mol, XLogP of 1.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,8aS)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl] acetate is sourced from PubChem (CID 163010677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).