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

C18H19NO4 — CID 54691176

IUPACethyl 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCCOC(=O)c1c(O)c(Cc2ccccc2)c(=O)n2c1CCC2
InChIInChI=1S/C18H19NO4/c1-2-23-18(22)15-14-9-6-10-19(14)17(21)13(16(15)20)11-12-7-4-3-5-8-12/h3-5,7-8,20H,2,6,9-11H2,1H3
InChIKeyKXZOWLHRZVCZLH-UHFFFAOYSA-N
MW313.35 g/mol
LogP2.27
Rot. Bonds4

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

ethyl 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (PubChem CID 54691176) has the molecular formula C18H19NO4 and a molecular weight of 313.35 g/mol. Its IUPAC name is ethyl 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
PubChem CID54691176
Molecular FormulaC18H19NO4
Molecular Weight313.35 g/mol
Exact Mass313.13
IUPAC Nameethyl 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCCOC(=O)c1c(O)c(Cc2ccccc2)c(=O)n2c1CCC2
InChIInChI=1S/C18H19NO4/c1-2-23-18(22)15-14-9-6-10-19(14)17(21)13(16(15)20)11-12-7-4-3-5-8-12/h3-5,7-8,20H,2,6,9-11H2,1H3
InChIKeyKXZOWLHRZVCZLH-UHFFFAOYSA-N
XLogP2.27
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.35
LogP ≤ 52.27
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
ethyl 6-[(2-fluorophenyl)methyl]-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
CID 86275038
ethyl 5-oxo-6-[[2-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-indolizine-8-carboxylate
CID 86275285
ethyl 5-oxo-6-[[4-(trifluoromethyl)phenyl]methyl]-2,3-dihydro-1H-indolizine-8-carboxylate
CID 86275286
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

Frequently Asked Questions

What is the IUPAC name of ethyl 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The IUPAC name of ethyl 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (CID 54691176) is ethyl 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.
What is the SMILES notation for ethyl 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The canonical SMILES for ethyl 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is CCOC(=O)c1c(O)c(Cc2ccccc2)c(=O)n2c1CCC2.
What is the InChIKey of ethyl 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The InChIKey is KXZOWLHRZVCZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO4/c1-2-23-18(22)15-14-9-6-10-19(14)17(21)13(16(15)20)11-12-7-4-3-5-8-12/h3-5,7-8,20H,2,6,9-11H2,1H3.
What are the key properties of ethyl 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
ethyl 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate has a molecular weight of 313.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-benzyl-7-hydroxy-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is sourced from PubChem (CID 54691176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).