ethyl 3-acetylindolizine-1-carboxylate

C13H13NO3 — CID 838368

IUPACethyl 3-acetylindolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(C)=O)n2ccccc12
InChIInChI=1S/C13H13NO3/c1-3-17-13(16)10-8-12(9(2)15)14-7-5-4-6-11(10)14/h4-8H,3H2,1-2H3
InChIKeyBEZNZGODEBOELN-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.32
Rot. Bonds3

About ethyl 3-acetylindolizine-1-carboxylate

ethyl 3-acetylindolizine-1-carboxylate (PubChem CID 838368) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 3-acetylindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-acetylindolizine-1-carboxylate
PubChem CID838368
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Nameethyl 3-acetylindolizine-1-carboxylate
SMILESCCOC(=O)c1cc(C(C)=O)n2ccccc12
InChIInChI=1S/C13H13NO3/c1-3-17-13(16)10-8-12(9(2)15)14-7-5-4-6-11(10)14/h4-8H,3H2,1-2H3
InChIKeyBEZNZGODEBOELN-UHFFFAOYSA-N
XLogP2.32
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 3-acetylindolizine-1-carboxylate?
The IUPAC name of ethyl 3-acetylindolizine-1-carboxylate (CID 838368) is ethyl 3-acetylindolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-acetylindolizine-1-carboxylate?
The canonical SMILES for ethyl 3-acetylindolizine-1-carboxylate is CCOC(=O)c1cc(C(C)=O)n2ccccc12.
What is the InChIKey of ethyl 3-acetylindolizine-1-carboxylate?
The InChIKey is BEZNZGODEBOELN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-3-17-13(16)10-8-12(9(2)15)14-7-5-4-6-11(10)14/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 3-acetylindolizine-1-carboxylate?
ethyl 3-acetylindolizine-1-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-acetylindolizine-1-carboxylate is sourced from PubChem (CID 838368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).