ethyl 2-phenylindolizine-8-carboxylate

C17H15NO2 — CID 15562881

IUPACethyl 2-phenylindolizine-8-carboxylate
SMILESCCOC(=O)c1cccn2cc(-c3ccccc3)cc12
InChIInChI=1S/C17H15NO2/c1-2-20-17(19)15-9-6-10-18-12-14(11-16(15)18)13-7-4-3-5-8-13/h3-12H,2H2,1H3
InChIKeyLAQGICHUDVMXTB-UHFFFAOYSA-N
MW265.31 g/mol
LogP3.78
Rot. Bonds3

About ethyl 2-phenylindolizine-8-carboxylate

ethyl 2-phenylindolizine-8-carboxylate (PubChem CID 15562881) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is ethyl 2-phenylindolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 2-phenylindolizine-8-carboxylate
PubChem CID15562881
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Nameethyl 2-phenylindolizine-8-carboxylate
SMILESCCOC(=O)c1cccn2cc(-c3ccccc3)cc12
InChIInChI=1S/C17H15NO2/c1-2-20-17(19)15-9-6-10-18-12-14(11-16(15)18)13-7-4-3-5-8-13/h3-12H,2H2,1H3
InChIKeyLAQGICHUDVMXTB-UHFFFAOYSA-N
XLogP3.78
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-phenylimidazo[1,2-a]pyridine-8-carboxylate;hydrobromide
CID 67768891
ethyl 8-aminoindolizine-2-carboxylate
CID 131575928
ethyl 3-benzoyl-2-methylindolizine-8-carboxylate
CID 15562899
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 2-phenylpyridine-3-carboxylate
CID 10846916
ethyl 2-ethoxy-4-phenylbenzoate
CID 22494159
ethyl 1-methyl-3-phenylpyrazole-4-carboxylate
CID 14003898
ethyl 2,5-dimethyl-3,4-diphenylbenzoate
CID 102473305
ethyl 1-acetyl-4-methyl-5-phenylpyrrole-3-carboxylate
CID 4680387
ethyl 2-acetyl-3-methyl-5-phenylbenzoate
CID 122378323
barium(2+);2-ethoxycarbonylbenzoic acid;hydride
CID 174858684
ethene;2-ethoxycarbonylbenzoic acid
CID 159652266

Frequently Asked Questions

What is the IUPAC name of ethyl 2-phenylindolizine-8-carboxylate?
The IUPAC name of ethyl 2-phenylindolizine-8-carboxylate (CID 15562881) is ethyl 2-phenylindolizine-8-carboxylate.
What is the SMILES notation for ethyl 2-phenylindolizine-8-carboxylate?
The canonical SMILES for ethyl 2-phenylindolizine-8-carboxylate is CCOC(=O)c1cccn2cc(-c3ccccc3)cc12.
What is the InChIKey of ethyl 2-phenylindolizine-8-carboxylate?
The InChIKey is LAQGICHUDVMXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15NO2/c1-2-20-17(19)15-9-6-10-18-12-14(11-16(15)18)13-7-4-3-5-8-13/h3-12H,2H2,1H3.
What are the key properties of ethyl 2-phenylindolizine-8-carboxylate?
ethyl 2-phenylindolizine-8-carboxylate has a molecular weight of 265.31 g/mol, XLogP of 3.78, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-phenylindolizine-8-carboxylate is sourced from PubChem (CID 15562881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).