ethyl 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylate

C17H17NO4 — CID 54691175

IUPACethyl 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCCOC(=O)c1c(O)c(-c2ccccc2)c(=O)n2c1CCC2
InChIInChI=1S/C17H17NO4/c1-2-22-17(21)14-12-9-6-10-18(12)16(20)13(15(14)19)11-7-4-3-5-8-11/h3-5,7-8,19H,2,6,9-10H2,1H3
InChIKeyUZCLBZGSOHWPAQ-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.34
Rot. Bonds3

About ethyl 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylate

ethyl 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylate (PubChem CID 54691175) has the molecular formula C17H17NO4 and a molecular weight of 299.33 g/mol. Its IUPAC name is ethyl 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylate
PubChem CID54691175
Molecular FormulaC17H17NO4
Molecular Weight299.33 g/mol
Exact Mass299.12
IUPAC Nameethyl 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCCOC(=O)c1c(O)c(-c2ccccc2)c(=O)n2c1CCC2
InChIInChI=1S/C17H17NO4/c1-2-22-17(21)14-12-9-6-10-18(12)16(20)13(15(14)19)11-7-4-3-5-8-11/h3-5,7-8,19H,2,6,9-10H2,1H3
InChIKeyUZCLBZGSOHWPAQ-UHFFFAOYSA-N
XLogP2.34
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1-propyl-1,6-dihydro-3-pyridinecarboxylate
CID 54694325
ethyl 6-benzyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 86275037
ethyl 6-[(3-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 86275039
ethyl 6-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 86275040
Ethyl 4-hydroxy-2-methyl-6-oxo-5-phenyl-1,6-dihydropyridine-3-carboxylate
CID 54688712
6-(2-Fluorophenyl)-3-methyl-5-oxo-1,2,3,5-tetrahydroindolizine-8-carboxylic acid
CID 66844924
ethyl 6-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 86275038
Ethyl 6-[(4-fluorophenyl)methyl]-1,5-dioxo-2,3-dihydroindolizine-8-carboxylate
CID 117599662
Ethyl 6-[(3-fluorophenyl)methyl]-1,5-dioxo-2,3-dihydroindolizine-8-carboxylate
CID 117599663
Ethyl 6-[(2-fluorophenyl)methyl]-1,5-dioxo-2,3-dihydroindolizine-8-carboxylate
CID 117599676
methyl 6-[(4-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 129080128
methyl 6-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 129080165

Frequently Asked Questions

What is the IUPAC name of ethyl 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylate?
The IUPAC name of ethyl 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylate (CID 54691175) is ethyl 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylate.
What is the SMILES notation for ethyl 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylate?
The canonical SMILES for ethyl 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylate is CCOC(=O)c1c(O)c(-c2ccccc2)c(=O)n2c1CCC2.
What is the InChIKey of ethyl 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylate?
The InChIKey is UZCLBZGSOHWPAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17NO4/c1-2-22-17(21)14-12-9-6-10-18(12)16(20)13(15(14)19)11-7-4-3-5-8-11/h3-5,7-8,19H,2,6,9-10H2,1H3.
What are the key properties of ethyl 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylate?
ethyl 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylate has a molecular weight of 299.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-hydroxy-5-oxo-6-phenyl-2,3-dihydro-1H-indolizine-8-carboxylate is sourced from PubChem (CID 54691175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).