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

C12H21NO2 — CID 90065683

IUPACethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetate
SMILESCCOC(=O)CC1CCN2CCCC2C1
InChIInChI=1S/C12H21NO2/c1-2-15-12(14)9-10-5-7-13-6-3-4-11(13)8-10/h10-11H,2-9H2,1H3
InChIKeyVJVIOEPIBAHYPM-UHFFFAOYSA-N
MW211.30 g/mol
LogP1.81
Rot. Bonds3

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

ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetate (PubChem CID 90065683) has the molecular formula C12H21NO2 and a molecular weight of 211.30 g/mol. Its IUPAC name is ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetate
PubChem CID90065683
Molecular FormulaC12H21NO2
Molecular Weight211.30 g/mol
Exact Mass211.16
IUPAC Nameethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetate
SMILESCCOC(=O)CC1CCN2CCCC2C1
InChIInChI=1S/C12H21NO2/c1-2-15-12(14)9-10-5-7-13-6-3-4-11(13)8-10/h10-11H,2-9H2,1H3
InChIKeyVJVIOEPIBAHYPM-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.30
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetate?
The IUPAC name of ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetate (CID 90065683) is ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetate.
What is the SMILES notation for ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetate?
The canonical SMILES for ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetate is CCOC(=O)CC1CCN2CCCC2C1.
What is the InChIKey of ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetate?
The InChIKey is VJVIOEPIBAHYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO2/c1-2-15-12(14)9-10-5-7-13-6-3-4-11(13)8-10/h10-11H,2-9H2,1H3.
What are the key properties of ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetate?
ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetate has a molecular weight of 211.30 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(1,2,3,5,6,7,8,8a-octahydroindolizin-7-yl)acetate is sourced from PubChem (CID 90065683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).