ethyl 5-benzoyl-3-formyl-6-methylindolizine-7-carboxylate

C20H17NO4 — CID 72701593

IUPACethyl 5-benzoyl-3-formyl-6-methylindolizine-7-carboxylate
SMILESCCOC(=O)c1cc2ccc(C=O)n2c(C(=O)c2ccccc2)c1C
InChIInChI=1S/C20H17NO4/c1-3-25-20(24)17-11-15-9-10-16(12-22)21(15)18(13(17)2)19(23)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyFGZWYKSPRPQLTL-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.47
Rot. Bonds5

About ethyl 5-benzoyl-3-formyl-6-methylindolizine-7-carboxylate

ethyl 5-benzoyl-3-formyl-6-methylindolizine-7-carboxylate (PubChem CID 72701593) has the molecular formula C20H17NO4 and a molecular weight of 335.36 g/mol. Its IUPAC name is ethyl 5-benzoyl-3-formyl-6-methylindolizine-7-carboxylate.

Molecular Properties

Compound Nameethyl 5-benzoyl-3-formyl-6-methylindolizine-7-carboxylate
PubChem CID72701593
Molecular FormulaC20H17NO4
Molecular Weight335.36 g/mol
Exact Mass335.12
IUPAC Nameethyl 5-benzoyl-3-formyl-6-methylindolizine-7-carboxylate
SMILESCCOC(=O)c1cc2ccc(C=O)n2c(C(=O)c2ccccc2)c1C
InChIInChI=1S/C20H17NO4/c1-3-25-20(24)17-11-15-9-10-16(12-22)21(15)18(13(17)2)19(23)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3
InChIKeyFGZWYKSPRPQLTL-UHFFFAOYSA-N
XLogP3.47
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-(4-fluorobenzoyl)-6-methylindolizine-7-carboxylate
CID 72701725
ethyl 3-benzoyl-2-methylindolizine-8-carboxylate
CID 15562899
ethyl 1-benzoyl-4-benzyl-3-phenylpyrrolo[1,2-a]benzimidazole-2-carboxylate
CID 56931222
ethyl 3-benzoyl-4-formyl-2-phenylpyrrolo[1,2-a]quinoline-1-carboxylate
CID 102460014
ethyl 1-benzyl-5-formyl-2-propan-2-ylpyrrole-3-carboxylate
CID 88945946
ethyl 1-benzoyl-7-methyl-2-phenylpyrrolo[1,2-a]quinoline-3-carboxylate
CID 132596236
ethyl 1-amino-5-formylpyrrole-2-carboxylate
CID 137367564
CID 158970570
CID 158970570
ethyl 3-benzoyl-7-benzyl-2-phenylindolizine-1-carboxylate
CID 51056237
2-[ethoxy(phenyl)methylidene]propanedioic acid
CID 69168972
ethyl 2-(2-formylimidazol-1-yl)benzoate
CID 83383313
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
CID 59266192

Frequently Asked Questions

What is the IUPAC name of ethyl 5-benzoyl-3-formyl-6-methylindolizine-7-carboxylate?
The IUPAC name of ethyl 5-benzoyl-3-formyl-6-methylindolizine-7-carboxylate (CID 72701593) is ethyl 5-benzoyl-3-formyl-6-methylindolizine-7-carboxylate.
What is the SMILES notation for ethyl 5-benzoyl-3-formyl-6-methylindolizine-7-carboxylate?
The canonical SMILES for ethyl 5-benzoyl-3-formyl-6-methylindolizine-7-carboxylate is CCOC(=O)c1cc2ccc(C=O)n2c(C(=O)c2ccccc2)c1C.
What is the InChIKey of ethyl 5-benzoyl-3-formyl-6-methylindolizine-7-carboxylate?
The InChIKey is FGZWYKSPRPQLTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17NO4/c1-3-25-20(24)17-11-15-9-10-16(12-22)21(15)18(13(17)2)19(23)14-7-5-4-6-8-14/h4-12H,3H2,1-2H3.
What are the key properties of ethyl 5-benzoyl-3-formyl-6-methylindolizine-7-carboxylate?
ethyl 5-benzoyl-3-formyl-6-methylindolizine-7-carboxylate has a molecular weight of 335.36 g/mol, XLogP of 3.47, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-benzoyl-3-formyl-6-methylindolizine-7-carboxylate is sourced from PubChem (CID 72701593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).