diethyl 3-(5-acetylthiophen-2-yl)indolizine-1,2-dicarboxylate

C20H19NO5S — CID 102234862

IUPACdiethyl 3-(5-acetylthiophen-2-yl)indolizine-1,2-dicarboxylate
SMILESCCOC(=O)c1c(C(=O)OCC)c2ccccn2c1-c1ccc(C(C)=O)s1
InChIInChI=1S/C20H19NO5S/c1-4-25-19(23)16-13-8-6-7-11-21(13)18(17(16)20(24)26-5-2)15-10-9-14(27-15)12(3)22/h6-11H,4-5H2,1-3H3
InChIKeyZGOUDKFJZFCVKB-UHFFFAOYSA-N
MW385.44 g/mol
LogP4.22
Rot. Bonds6

About diethyl 3-(5-acetylthiophen-2-yl)indolizine-1,2-dicarboxylate

diethyl 3-(5-acetylthiophen-2-yl)indolizine-1,2-dicarboxylate (PubChem CID 102234862) has the molecular formula C20H19NO5S and a molecular weight of 385.44 g/mol. Its IUPAC name is diethyl 3-(5-acetylthiophen-2-yl)indolizine-1,2-dicarboxylate.

Molecular Properties

Compound Namediethyl 3-(5-acetylthiophen-2-yl)indolizine-1,2-dicarboxylate
PubChem CID102234862
Molecular FormulaC20H19NO5S
Molecular Weight385.44 g/mol
Exact Mass385.10
IUPAC Namediethyl 3-(5-acetylthiophen-2-yl)indolizine-1,2-dicarboxylate
SMILESCCOC(=O)c1c(C(=O)OCC)c2ccccn2c1-c1ccc(C(C)=O)s1
InChIInChI=1S/C20H19NO5S/c1-4-25-19(23)16-13-8-6-7-11-21(13)18(17(16)20(24)26-5-2)15-10-9-14(27-15)12(3)22/h6-11H,4-5H2,1-3H3
InChIKeyZGOUDKFJZFCVKB-UHFFFAOYSA-N
XLogP4.22
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.44
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 3-acetyl-4-oxoquinolizine-1-carboxylate
CID 621106
ethyl 3-cyano-2-ethylindolizine-1-carboxylate
CID 86231080
diethyl 2-(2-oxopropylsulfanyl)indolizine-1,3-dicarboxylate
CID 14708951
ethyl 4-oxo-2-thiophen-2-ylquinolizine-1-carboxylate
CID 138971000
ethyl 3-(2-methylprop-2-enoxy)pyrido[1,2-a]indole-10-carboxylate
CID 56644234
ethyl 3-ethylindolizine-1-carboxylate
CID 3747254
ethyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982589
ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate
CID 3261748
diethyl pyrazolo[1,5-a]pyridine-2,3-dicarboxylate
CID 53487001
ethyl 10-methyl-6-oxobenzo[a]quinolizine-7-carboxylate
CID 142738035
diethyl 1-nitroindolizine-2,3-dicarboxylate
CID 139235404
ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate
CID 71764017

Frequently Asked Questions

What is the IUPAC name of diethyl 3-(5-acetylthiophen-2-yl)indolizine-1,2-dicarboxylate?
The IUPAC name of diethyl 3-(5-acetylthiophen-2-yl)indolizine-1,2-dicarboxylate (CID 102234862) is diethyl 3-(5-acetylthiophen-2-yl)indolizine-1,2-dicarboxylate.
What is the SMILES notation for diethyl 3-(5-acetylthiophen-2-yl)indolizine-1,2-dicarboxylate?
The canonical SMILES for diethyl 3-(5-acetylthiophen-2-yl)indolizine-1,2-dicarboxylate is CCOC(=O)c1c(C(=O)OCC)c2ccccn2c1-c1ccc(C(C)=O)s1.
What is the InChIKey of diethyl 3-(5-acetylthiophen-2-yl)indolizine-1,2-dicarboxylate?
The InChIKey is ZGOUDKFJZFCVKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO5S/c1-4-25-19(23)16-13-8-6-7-11-21(13)18(17(16)20(24)26-5-2)15-10-9-14(27-15)12(3)22/h6-11H,4-5H2,1-3H3.
What are the key properties of diethyl 3-(5-acetylthiophen-2-yl)indolizine-1,2-dicarboxylate?
diethyl 3-(5-acetylthiophen-2-yl)indolizine-1,2-dicarboxylate has a molecular weight of 385.44 g/mol, XLogP of 4.22, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 3-(5-acetylthiophen-2-yl)indolizine-1,2-dicarboxylate is sourced from PubChem (CID 102234862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).