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

C12H19NO4 — CID 13308888

IUPAC(1-acetyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl) acetate
SMILESCC(=O)OC1CN2CCCCC2C1OC(C)=O
InChIInChI=1S/C12H19NO4/c1-8(14)16-11-7-13-6-4-3-5-10(13)12(11)17-9(2)15/h10-12H,3-7H2,1-2H3
InChIKeyVAWLYESBWKGRCQ-UHFFFAOYSA-N
MW241.29 g/mol
LogP0.72
Rot. Bonds2

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

(1-acetyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl) acetate (PubChem CID 13308888) has the molecular formula C12H19NO4 and a molecular weight of 241.29 g/mol. Its IUPAC name is (1-acetyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl) acetate.

Molecular Properties

Compound Name(1-acetyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl) acetate
PubChem CID13308888
Molecular FormulaC12H19NO4
Molecular Weight241.29 g/mol
Exact Mass241.13
IUPAC Name(1-acetyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl) acetate
SMILESCC(=O)OC1CN2CCCCC2C1OC(C)=O
InChIInChI=1S/C12H19NO4/c1-8(14)16-11-7-13-6-4-3-5-10(13)12(11)17-9(2)15/h10-12H,3-7H2,1-2H3
InChIKeyVAWLYESBWKGRCQ-UHFFFAOYSA-N
XLogP0.72
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (1-acetyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl) acetate?
The IUPAC name of (1-acetyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl) acetate (CID 13308888) is (1-acetyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl) acetate.
What is the SMILES notation for (1-acetyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl) acetate?
The canonical SMILES for (1-acetyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl) acetate is CC(=O)OC1CN2CCCCC2C1OC(C)=O.
What is the InChIKey of (1-acetyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl) acetate?
The InChIKey is VAWLYESBWKGRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO4/c1-8(14)16-11-7-13-6-4-3-5-10(13)12(11)17-9(2)15/h10-12H,3-7H2,1-2H3.
What are the key properties of (1-acetyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl) acetate?
(1-acetyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl) acetate has a molecular weight of 241.29 g/mol, XLogP of 0.72, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyloxy-1,2,3,5,6,7,8,8a-octahydroindolizin-2-yl) acetate is sourced from PubChem (CID 13308888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).