methyl 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

C10H11NO3 — CID 76637902

IUPACmethyl 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCOC(=O)C1CCc2cccc(=O)n21
InChIInChI=1S/C10H11NO3/c1-14-10(13)8-6-5-7-3-2-4-9(12)11(7)8/h2-4,8H,5-6H2,1H3
InChIKeyZGDXLVVSZMKXPU-UHFFFAOYSA-N
MW193.20 g/mol
LogP0.51
Rot. Bonds1

About methyl 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

methyl 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (PubChem CID 76637902) has the molecular formula C10H11NO3 and a molecular weight of 193.20 g/mol. Its IUPAC name is methyl 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
PubChem CID76637902
Molecular FormulaC10H11NO3
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Namemethyl 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCOC(=O)C1CCc2cccc(=O)n21
InChIInChI=1S/C10H11NO3/c1-14-10(13)8-6-5-7-3-2-4-9(12)11(7)8/h2-4,8H,5-6H2,1H3
InChIKeyZGDXLVVSZMKXPU-UHFFFAOYSA-N
XLogP0.51
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 8-acetyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 15119899
(S)-5-Oxo-1,2,3,5-tetrahydroindolizine-3-carboxylic acid
CID 57907462
Methyl(3S)-5-oxo-1,2,3,5-tetrahydroindolizine-3-carboxylate
CID 57907618
methyl 8-acetyl-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975102
methyl 6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975131
methyl 8-amino-6-(methylamino)-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975141
methyl 6-methyl-8-nitro-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
CID 59975146
(3S)-1-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylic acid
CID 66939798
(S)-1-((E)-2-Decenoyl)pyrrolidine-2-carboxylic acid methyl ester
CID 72188730
5-Oxo-1,2,3,5-tetrahydroindolizine-3-carboxylic acid
CID 76637873
Ethyl 7-hydroxy-5-oxo-1,2,3,5-tetrahydroindolizine-3-carboxylate
CID 89651352
methyl 1-[(E)-3-methylhex-2-enoyl]pyrrolidine-2-carboxylate
CID 89976491

Frequently Asked Questions

What is the IUPAC name of methyl 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The IUPAC name of methyl 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (CID 76637902) is methyl 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.
What is the SMILES notation for methyl 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The canonical SMILES for methyl 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is COC(=O)C1CCc2cccc(=O)n21.
What is the InChIKey of methyl 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The InChIKey is ZGDXLVVSZMKXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO3/c1-14-10(13)8-6-5-7-3-2-4-9(12)11(7)8/h2-4,8H,5-6H2,1H3.
What are the key properties of methyl 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
methyl 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate has a molecular weight of 193.20 g/mol, XLogP of 0.51, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 76637902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).