diethyl 2-phenylindolizine-1,3-dicarboxylate

C20H19NO4 — CID 44531961

IUPACdiethyl 2-phenylindolizine-1,3-dicarboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n2ccccc12
InChIInChI=1S/C20H19NO4/c1-3-24-19(22)17-15-12-8-9-13-21(15)18(20(23)25-4-2)16(17)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3
InChIKeyLMSFNDXONCWEAP-UHFFFAOYSA-N
MW337.38 g/mol
LogP3.96
Rot. Bonds5

About diethyl 2-phenylindolizine-1,3-dicarboxylate

diethyl 2-phenylindolizine-1,3-dicarboxylate (PubChem CID 44531961) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is diethyl 2-phenylindolizine-1,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-phenylindolizine-1,3-dicarboxylate
PubChem CID44531961
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Namediethyl 2-phenylindolizine-1,3-dicarboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n2ccccc12
InChIInChI=1S/C20H19NO4/c1-3-24-19(22)17-15-12-8-9-13-21(15)18(20(23)25-4-2)16(17)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3
InChIKeyLMSFNDXONCWEAP-UHFFFAOYSA-N
XLogP3.96
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-phenylindolizine-1,3-dicarboxylate?
The IUPAC name of diethyl 2-phenylindolizine-1,3-dicarboxylate (CID 44531961) is diethyl 2-phenylindolizine-1,3-dicarboxylate.
What is the SMILES notation for diethyl 2-phenylindolizine-1,3-dicarboxylate?
The canonical SMILES for diethyl 2-phenylindolizine-1,3-dicarboxylate is CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n2ccccc12.
What is the InChIKey of diethyl 2-phenylindolizine-1,3-dicarboxylate?
The InChIKey is LMSFNDXONCWEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO4/c1-3-24-19(22)17-15-12-8-9-13-21(15)18(20(23)25-4-2)16(17)14-10-6-5-7-11-14/h5-13H,3-4H2,1-2H3.
What are the key properties of diethyl 2-phenylindolizine-1,3-dicarboxylate?
diethyl 2-phenylindolizine-1,3-dicarboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.96, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-phenylindolizine-1,3-dicarboxylate is sourced from PubChem (CID 44531961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).