ethyl 7-benzoylindolizine-2-carboxylate

C18H15NO3 — CID 71386260

IUPACethyl 7-benzoylindolizine-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C(=O)c3ccccc3)ccn2c1
InChIInChI=1S/C18H15NO3/c1-2-22-18(21)15-11-16-10-14(8-9-19(16)12-15)17(20)13-6-4-3-5-7-13/h3-12H,2H2,1H3
InChIKeyDLVDAICHEMPKGX-UHFFFAOYSA-N
MW293.32 g/mol
LogP3.35
Rot. Bonds4

About ethyl 7-benzoylindolizine-2-carboxylate

ethyl 7-benzoylindolizine-2-carboxylate (PubChem CID 71386260) has the molecular formula C18H15NO3 and a molecular weight of 293.32 g/mol. Its IUPAC name is ethyl 7-benzoylindolizine-2-carboxylate.

Molecular Properties

Compound Nameethyl 7-benzoylindolizine-2-carboxylate
PubChem CID71386260
Molecular FormulaC18H15NO3
Molecular Weight293.32 g/mol
Exact Mass293.11
IUPAC Nameethyl 7-benzoylindolizine-2-carboxylate
SMILESCCOC(=O)c1cc2cc(C(=O)c3ccccc3)ccn2c1
InChIInChI=1S/C18H15NO3/c1-2-22-18(21)15-11-16-10-14(8-9-19(16)12-15)17(20)13-6-4-3-5-7-13/h3-12H,2H2,1H3
InChIKeyDLVDAICHEMPKGX-UHFFFAOYSA-N
XLogP3.35
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

CID 177359371
CID 177359371
CID 158970570
CID 158970570
ethyl 4-[4-(4-benzoylphenyl)phenyl]benzoate
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ethyl 4-(4-ethoxycarbonylbenzoyl)benzoate
CID 11110194
ethyl 8-aminoindolizine-2-carboxylate
CID 131575928
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CID 91175503
ethyl 2-benzoylcyclopropene-1-carboxylate
CID 102131953
ethyl 5-methyl-1-phenylpyrrole-3-carboxylate
CID 86012716
diethyl benzene-1,3-dicarboxylate
CID 12491
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CID 46223052

Frequently Asked Questions

What is the IUPAC name of ethyl 7-benzoylindolizine-2-carboxylate?
The IUPAC name of ethyl 7-benzoylindolizine-2-carboxylate (CID 71386260) is ethyl 7-benzoylindolizine-2-carboxylate.
What is the SMILES notation for ethyl 7-benzoylindolizine-2-carboxylate?
The canonical SMILES for ethyl 7-benzoylindolizine-2-carboxylate is CCOC(=O)c1cc2cc(C(=O)c3ccccc3)ccn2c1.
What is the InChIKey of ethyl 7-benzoylindolizine-2-carboxylate?
The InChIKey is DLVDAICHEMPKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO3/c1-2-22-18(21)15-11-16-10-14(8-9-19(16)12-15)17(20)13-6-4-3-5-7-13/h3-12H,2H2,1H3.
What are the key properties of ethyl 7-benzoylindolizine-2-carboxylate?
ethyl 7-benzoylindolizine-2-carboxylate has a molecular weight of 293.32 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-benzoylindolizine-2-carboxylate is sourced from PubChem (CID 71386260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).