ethyl 5,6,7,8-tetrahydroindolizine-2-carboxylate

C11H15NO2 — CID 122223917

IUPACethyl 5,6,7,8-tetrahydroindolizine-2-carboxylate
SMILESCCOC(=O)c1cc2n(c1)CCCC2
InChIInChI=1S/C11H15NO2/c1-2-14-11(13)9-7-10-5-3-4-6-12(10)8-9/h7-8H,2-6H2,1H3
InChIKeyCYNUEPFNNVNJQR-UHFFFAOYSA-N
MW193.25 g/mol
LogP2.00
Rot. Bonds2

About ethyl 5,6,7,8-tetrahydroindolizine-2-carboxylate

ethyl 5,6,7,8-tetrahydroindolizine-2-carboxylate (PubChem CID 122223917) has the molecular formula C11H15NO2 and a molecular weight of 193.25 g/mol. Its IUPAC name is ethyl 5,6,7,8-tetrahydroindolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 5,6,7,8-tetrahydroindolizine-2-carboxylate
PubChem CID122223917
Molecular FormulaC11H15NO2
Molecular Weight193.25 g/mol
Exact Mass193.11
IUPAC Nameethyl 5,6,7,8-tetrahydroindolizine-2-carboxylate
SMILESCCOC(=O)c1cc2n(c1)CCCC2
InChIInChI=1S/C11H15NO2/c1-2-14-11(13)9-7-10-5-3-4-6-12(10)8-9/h7-8H,2-6H2,1H3
InChIKeyCYNUEPFNNVNJQR-UHFFFAOYSA-N
XLogP2.00
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5,6,7,8-tetrahydroindolizine-2-carboxylate?
The IUPAC name of ethyl 5,6,7,8-tetrahydroindolizine-2-carboxylate (CID 122223917) is ethyl 5,6,7,8-tetrahydroindolizine-2-carboxylate.
What is the SMILES notation for ethyl 5,6,7,8-tetrahydroindolizine-2-carboxylate?
The canonical SMILES for ethyl 5,6,7,8-tetrahydroindolizine-2-carboxylate is CCOC(=O)c1cc2n(c1)CCCC2.
What is the InChIKey of ethyl 5,6,7,8-tetrahydroindolizine-2-carboxylate?
The InChIKey is CYNUEPFNNVNJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO2/c1-2-14-11(13)9-7-10-5-3-4-6-12(10)8-9/h7-8H,2-6H2,1H3.
What are the key properties of ethyl 5,6,7,8-tetrahydroindolizine-2-carboxylate?
ethyl 5,6,7,8-tetrahydroindolizine-2-carboxylate has a molecular weight of 193.25 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5,6,7,8-tetrahydroindolizine-2-carboxylate is sourced from PubChem (CID 122223917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).