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

C18H19NO3 — CID 86275037

IUPACethyl 6-benzyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccccc2)c(=O)n2c1CCC2
InChIInChI=1S/C18H19NO3/c1-2-22-18(21)15-12-14(11-13-7-4-3-5-8-13)17(20)19-10-6-9-16(15)19/h3-5,7-8,12H,2,6,9-11H2,1H3
InChIKeyNYRCMXDULCKRAA-UHFFFAOYSA-N
MW297.35 g/mol
LogP2.56
Rot. Bonds4

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

ethyl 6-benzyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (PubChem CID 86275037) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl 6-benzyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.

Molecular Properties

Compound Nameethyl 6-benzyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
PubChem CID86275037
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Nameethyl 6-benzyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate
SMILESCCOC(=O)c1cc(Cc2ccccc2)c(=O)n2c1CCC2
InChIInChI=1S/C18H19NO3/c1-2-22-18(21)15-12-14(11-13-7-4-3-5-8-13)17(20)19-10-6-9-16(15)19/h3-5,7-8,12H,2,6,9-11H2,1H3
InChIKeyNYRCMXDULCKRAA-UHFFFAOYSA-N
XLogP2.56
TPSA48.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-benzyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The IUPAC name of ethyl 6-benzyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate (CID 86275037) is ethyl 6-benzyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate.
What is the SMILES notation for ethyl 6-benzyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The canonical SMILES for ethyl 6-benzyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is CCOC(=O)c1cc(Cc2ccccc2)c(=O)n2c1CCC2.
What is the InChIKey of ethyl 6-benzyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
The InChIKey is NYRCMXDULCKRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-22-18(21)15-12-14(11-13-7-4-3-5-8-13)17(20)19-10-6-9-16(15)19/h3-5,7-8,12H,2,6,9-11H2,1H3.
What are the key properties of ethyl 6-benzyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate?
ethyl 6-benzyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-benzyl-5-oxo-2,3-dihydro-1H-indolizine-8-carboxylate is sourced from PubChem (CID 86275037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).