ethyl 2-acetylindolizine-3-carboxylate

C13H13NO3 — CID 91665485

IUPACethyl 2-acetylindolizine-3-carboxylate
SMILESCCOC(=O)c1c(C(C)=O)cc2ccccn12
InChIInChI=1S/C13H13NO3/c1-3-17-13(16)12-11(9(2)15)8-10-6-4-5-7-14(10)12/h4-8H,3H2,1-2H3
InChIKeyOAQGYCJSJPIMMY-UHFFFAOYSA-N
MW231.25 g/mol
LogP2.32
Rot. Bonds3

About ethyl 2-acetylindolizine-3-carboxylate

ethyl 2-acetylindolizine-3-carboxylate (PubChem CID 91665485) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 2-acetylindolizine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-acetylindolizine-3-carboxylate
PubChem CID91665485
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Nameethyl 2-acetylindolizine-3-carboxylate
SMILESCCOC(=O)c1c(C(C)=O)cc2ccccn12
InChIInChI=1S/C13H13NO3/c1-3-17-13(16)12-11(9(2)15)8-10-6-4-5-7-14(10)12/h4-8H,3H2,1-2H3
InChIKeyOAQGYCJSJPIMMY-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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Related Compounds

ethyl 3-[3-(dimethylamino)prop-2-enoyl]indolizine-2-carboxylate
CID 118581158
ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
ethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate
CID 72701725
ethyl 4-oxoquinolizine-3-carboxylate
CID 4615166
ethyl 2,6-dimethyl-5-[(2-methylindolizine-3-carbonyl)amino]pyridine-3-carboxylate
CID 23794192
ethyl 2-methylimidazo[1,2-a]pyridine-3-carboxylate;hydrochloride
CID 52988808
diethyl 2-(2-oxopropylsulfanyl)indolizine-1,3-dicarboxylate
CID 14708951
ethyl 3,4-dihydropyrido[1,2-a]indole-2-carboxylate
CID 57271487
ethyl 3-acetyl-7-(acetyloxymethyl)indolizine-2-carboxylate
CID 67036529
ethyl 3-benzoyl-2-methylindolizine-8-carboxylate
CID 15562899
ethyl 5-[hydroxy(phenyl)methyl]indolizine-7-carboxylate
CID 171758357
ethyl 3-ethylindolizine-1-carboxylate
CID 3747254

Frequently Asked Questions

What is the IUPAC name of ethyl 2-acetylindolizine-3-carboxylate?
The IUPAC name of ethyl 2-acetylindolizine-3-carboxylate (CID 91665485) is ethyl 2-acetylindolizine-3-carboxylate.
What is the SMILES notation for ethyl 2-acetylindolizine-3-carboxylate?
The canonical SMILES for ethyl 2-acetylindolizine-3-carboxylate is CCOC(=O)c1c(C(C)=O)cc2ccccn12.
What is the InChIKey of ethyl 2-acetylindolizine-3-carboxylate?
The InChIKey is OAQGYCJSJPIMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-3-17-13(16)12-11(9(2)15)8-10-6-4-5-7-14(10)12/h4-8H,3H2,1-2H3.
What are the key properties of ethyl 2-acetylindolizine-3-carboxylate?
ethyl 2-acetylindolizine-3-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 2-acetylindolizine-3-carboxylate is sourced from PubChem (CID 91665485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).