ethyl 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylate

C11H19NO2 — CID 10932403

IUPACethyl 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylate
SMILESCCOC(=O)C1CCN2CCCCC12
InChIInChI=1S/C11H19NO2/c1-2-14-11(13)9-6-8-12-7-4-3-5-10(9)12/h9-10H,2-8H2,1H3
InChIKeyIUZPUBPFKPZPON-UHFFFAOYSA-N
MW197.28 g/mol
LogP1.42
Rot. Bonds2

About ethyl 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylate

ethyl 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylate (PubChem CID 10932403) has the molecular formula C11H19NO2 and a molecular weight of 197.28 g/mol. Its IUPAC name is ethyl 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylate
PubChem CID10932403
Molecular FormulaC11H19NO2
Molecular Weight197.28 g/mol
Exact Mass197.14
IUPAC Nameethyl 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylate
SMILESCCOC(=O)C1CCN2CCCCC12
InChIInChI=1S/C11H19NO2/c1-2-14-11(13)9-6-8-12-7-4-3-5-10(9)12/h9-10H,2-8H2,1H3
InChIKeyIUZPUBPFKPZPON-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylate?
The IUPAC name of ethyl 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylate (CID 10932403) is ethyl 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylate.
What is the SMILES notation for ethyl 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylate?
The canonical SMILES for ethyl 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylate is CCOC(=O)C1CCN2CCCCC12.
What is the InChIKey of ethyl 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylate?
The InChIKey is IUZPUBPFKPZPON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO2/c1-2-14-11(13)9-6-8-12-7-4-3-5-10(9)12/h9-10H,2-8H2,1H3.
What are the key properties of ethyl 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylate?
ethyl 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylate has a molecular weight of 197.28 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1,2,3,5,6,7,8,8a-octahydroindolizine-1-carboxylate is sourced from PubChem (CID 10932403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).