methyl 8-acetyl-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

C13H15NO4 — CID 59975102

IUPACmethyl 8-acetyl-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCOC(=O)C1CCc2c(C(C)=O)cc(C)c(=O)n21
InChIInChI=1S/C13H15NO4/c1-7-6-9(8(2)15)10-4-5-11(13(17)18-3)14(10)12(7)16/h6,11H,4-5H2,1-3H3
InChIKeyFMUKUUVKHLGFOS-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.02
Rot. Bonds2

About methyl 8-acetyl-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate

methyl 8-acetyl-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (PubChem CID 59975102) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 8-acetyl-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl 8-acetyl-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
PubChem CID59975102
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namemethyl 8-acetyl-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate
SMILESCOC(=O)C1CCc2c(C(C)=O)cc(C)c(=O)n21
InChIInChI=1S/C13H15NO4/c1-7-6-9(8(2)15)10-4-5-11(13(17)18-3)14(10)12(7)16/h6,11H,4-5H2,1-3H3
InChIKeyFMUKUUVKHLGFOS-UHFFFAOYSA-N
XLogP1.02
TPSA65.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 8-acetyl-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The IUPAC name of methyl 8-acetyl-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate (CID 59975102) is methyl 8-acetyl-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate.
What is the SMILES notation for methyl 8-acetyl-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The canonical SMILES for methyl 8-acetyl-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is COC(=O)C1CCc2c(C(C)=O)cc(C)c(=O)n21.
What is the InChIKey of methyl 8-acetyl-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
The InChIKey is FMUKUUVKHLGFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-7-6-9(8(2)15)10-4-5-11(13(17)18-3)14(10)12(7)16/h6,11H,4-5H2,1-3H3.
What are the key properties of methyl 8-acetyl-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate?
methyl 8-acetyl-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 1.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-acetyl-6-methyl-5-oxo-2,3-dihydro-1H-indolizine-3-carboxylate is sourced from PubChem (CID 59975102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).