methyl (1E)-1-(dimethylaminomethylidene)-7-(1-methoxy-1-oxobutan-2-yl)-5-oxo-2,3-dihydroindolizine-3-carboxylate

C18H24N2O5 — CID 11739524

IUPACmethyl (1E)-1-(dimethylaminomethylidene)-7-(1-methoxy-1-oxobutan-2-yl)-5-oxo-2,3-dihydroindolizine-3-carboxylate
SMILESCCC(C(=O)OC)c1cc2n(c(=O)c1)C(C(=O)OC)C/C2=C\N(C)C
InChIInChI=1S/C18H24N2O5/c1-6-13(17(22)24-4)11-7-14-12(10-19(2)3)8-15(18(23)25-5)20(14)16(21)9-11/h7,9-10,13,15H,6,8H2,1-5H3/b12-10+
InChIKeyHGPCCBIZZZEETP-ZRDIBKRKSA-N
MW348.40 g/mol
LogP1.54
Rot. Bonds5

About methyl (1E)-1-(dimethylaminomethylidene)-7-(1-methoxy-1-oxobutan-2-yl)-5-oxo-2,3-dihydroindolizine-3-carboxylate

methyl (1E)-1-(dimethylaminomethylidene)-7-(1-methoxy-1-oxobutan-2-yl)-5-oxo-2,3-dihydroindolizine-3-carboxylate (PubChem CID 11739524) has the molecular formula C18H24N2O5 and a molecular weight of 348.40 g/mol. Its IUPAC name is methyl (1E)-1-(dimethylaminomethylidene)-7-(1-methoxy-1-oxobutan-2-yl)-5-oxo-2,3-dihydroindolizine-3-carboxylate.

Molecular Properties

Compound Namemethyl (1E)-1-(dimethylaminomethylidene)-7-(1-methoxy-1-oxobutan-2-yl)-5-oxo-2,3-dihydroindolizine-3-carboxylate
PubChem CID11739524
Molecular FormulaC18H24N2O5
Molecular Weight348.40 g/mol
Exact Mass348.17
IUPAC Namemethyl (1E)-1-(dimethylaminomethylidene)-7-(1-methoxy-1-oxobutan-2-yl)-5-oxo-2,3-dihydroindolizine-3-carboxylate
SMILESCCC(C(=O)OC)c1cc2n(c(=O)c1)C(C(=O)OC)C/C2=C\N(C)C
InChIInChI=1S/C18H24N2O5/c1-6-13(17(22)24-4)11-7-14-12(10-19(2)3)8-15(18(23)25-5)20(14)16(21)9-11/h7,9-10,13,15H,6,8H2,1-5H3/b12-10+
InChIKeyHGPCCBIZZZEETP-ZRDIBKRKSA-N
XLogP1.54
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.40
LogP ≤ 51.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of methyl (1E)-1-(dimethylaminomethylidene)-7-(1-methoxy-1-oxobutan-2-yl)-5-oxo-2,3-dihydroindolizine-3-carboxylate?
The IUPAC name of methyl (1E)-1-(dimethylaminomethylidene)-7-(1-methoxy-1-oxobutan-2-yl)-5-oxo-2,3-dihydroindolizine-3-carboxylate (CID 11739524) is methyl (1E)-1-(dimethylaminomethylidene)-7-(1-methoxy-1-oxobutan-2-yl)-5-oxo-2,3-dihydroindolizine-3-carboxylate.
What is the SMILES notation for methyl (1E)-1-(dimethylaminomethylidene)-7-(1-methoxy-1-oxobutan-2-yl)-5-oxo-2,3-dihydroindolizine-3-carboxylate?
The canonical SMILES for methyl (1E)-1-(dimethylaminomethylidene)-7-(1-methoxy-1-oxobutan-2-yl)-5-oxo-2,3-dihydroindolizine-3-carboxylate is CCC(C(=O)OC)c1cc2n(c(=O)c1)C(C(=O)OC)C/C2=C\N(C)C.
What is the InChIKey of methyl (1E)-1-(dimethylaminomethylidene)-7-(1-methoxy-1-oxobutan-2-yl)-5-oxo-2,3-dihydroindolizine-3-carboxylate?
The InChIKey is HGPCCBIZZZEETP-ZRDIBKRKSA-N. The full InChI is InChI=1S/C18H24N2O5/c1-6-13(17(22)24-4)11-7-14-12(10-19(2)3)8-15(18(23)25-5)20(14)16(21)9-11/h7,9-10,13,15H,6,8H2,1-5H3/b12-10+.
What are the key properties of methyl (1E)-1-(dimethylaminomethylidene)-7-(1-methoxy-1-oxobutan-2-yl)-5-oxo-2,3-dihydroindolizine-3-carboxylate?
methyl (1E)-1-(dimethylaminomethylidene)-7-(1-methoxy-1-oxobutan-2-yl)-5-oxo-2,3-dihydroindolizine-3-carboxylate has a molecular weight of 348.40 g/mol, XLogP of 1.54, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1E)-1-(dimethylaminomethylidene)-7-(1-methoxy-1-oxobutan-2-yl)-5-oxo-2,3-dihydroindolizine-3-carboxylate is sourced from PubChem (CID 11739524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).