ethyl 3-benzoyl-2-methylindolizine-8-carboxylate

C19H17NO3 — CID 15562899

IUPACethyl 3-benzoyl-2-methylindolizine-8-carboxylate
SMILESCCOC(=O)c1cccn2c(C(=O)c3ccccc3)c(C)cc12
InChIInChI=1S/C19H17NO3/c1-3-23-19(22)15-10-7-11-20-16(15)12-13(2)17(20)18(21)14-8-5-4-6-9-14/h4-12H,3H2,1-2H3
InChIKeyXLXSILVKVUJJRZ-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.66
Rot. Bonds4

About ethyl 3-benzoyl-2-methylindolizine-8-carboxylate

ethyl 3-benzoyl-2-methylindolizine-8-carboxylate (PubChem CID 15562899) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 3-benzoyl-2-methylindolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzoyl-2-methylindolizine-8-carboxylate
PubChem CID15562899
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Nameethyl 3-benzoyl-2-methylindolizine-8-carboxylate
SMILESCCOC(=O)c1cccn2c(C(=O)c3ccccc3)c(C)cc12
InChIInChI=1S/C19H17NO3/c1-3-23-19(22)15-10-7-11-20-16(15)12-13(2)17(20)18(21)14-8-5-4-6-9-14/h4-12H,3H2,1-2H3
InChIKeyXLXSILVKVUJJRZ-UHFFFAOYSA-N
XLogP3.66
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate
CID 72701725
ethyl 7-benzoyl-3-(4-methylphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 3424246
ethyl 2-phenylindolizine-8-carboxylate
CID 15562881
ethyl 3-(18O)benzoylindolizine-1-carboxylate
CID 154722794
ethyl 5-benzoyl-1-methylpyrrolo[1,2-a]imidazole-7-carboxylate
CID 44720421
ethyl 2-acetylindolizine-3-carboxylate
CID 91665485
ethyl 7-benzoyl-3-(4-hydroxyphenyl)pyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 3461787
ethyl 7-benzoyl-3-(3-methoxybenzoyl)indolizine-1-carboxylate
CID 4052671
ethyl 3-benzoyl-7-benzyl-2-phenylindolizine-1-carboxylate
CID 51056237
ethyl 3-benzoyl-2-(4-nitrophenyl)indolizine-1-carboxylate
CID 72701002
ethyl 7-benzoyl-3-thiophen-2-ylpyrrolo[1,2-c]pyrimidine-5-carboxylate
CID 12018432
ethyl benzoate;phthalic acid
CID 159584831

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzoyl-2-methylindolizine-8-carboxylate?
The IUPAC name of ethyl 3-benzoyl-2-methylindolizine-8-carboxylate (CID 15562899) is ethyl 3-benzoyl-2-methylindolizine-8-carboxylate.
What is the SMILES notation for ethyl 3-benzoyl-2-methylindolizine-8-carboxylate?
The canonical SMILES for ethyl 3-benzoyl-2-methylindolizine-8-carboxylate is CCOC(=O)c1cccn2c(C(=O)c3ccccc3)c(C)cc12.
What is the InChIKey of ethyl 3-benzoyl-2-methylindolizine-8-carboxylate?
The InChIKey is XLXSILVKVUJJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-3-23-19(22)15-10-7-11-20-16(15)12-13(2)17(20)18(21)14-8-5-4-6-9-14/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 3-benzoyl-2-methylindolizine-8-carboxylate?
ethyl 3-benzoyl-2-methylindolizine-8-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzoyl-2-methylindolizine-8-carboxylate is sourced from PubChem (CID 15562899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).