ethyl 3-benzyl-2-phenylindolizine-1-carboxylate

C24H21NO2 — CID 138982589

IUPACethyl 3-benzyl-2-phenylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(Cc2ccccc2)n2ccccc12
InChIInChI=1S/C24H21NO2/c1-2-27-24(26)23-20-15-9-10-16-25(20)21(17-18-11-5-3-6-12-18)22(23)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3
InChIKeyUISCSVMYGVKRKM-UHFFFAOYSA-N
MW355.44 g/mol
LogP5.37
Rot. Bonds5

About ethyl 3-benzyl-2-phenylindolizine-1-carboxylate

ethyl 3-benzyl-2-phenylindolizine-1-carboxylate (PubChem CID 138982589) has the molecular formula C24H21NO2 and a molecular weight of 355.44 g/mol. Its IUPAC name is ethyl 3-benzyl-2-phenylindolizine-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-benzyl-2-phenylindolizine-1-carboxylate
PubChem CID138982589
Molecular FormulaC24H21NO2
Molecular Weight355.44 g/mol
Exact Mass355.16
IUPAC Nameethyl 3-benzyl-2-phenylindolizine-1-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(Cc2ccccc2)n2ccccc12
InChIInChI=1S/C24H21NO2/c1-2-27-24(26)23-20-15-9-10-16-25(20)21(17-18-11-5-3-6-12-18)22(23)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3
InChIKeyUISCSVMYGVKRKM-UHFFFAOYSA-N
XLogP5.37
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500355.44
LogP ≤ 55.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982755
tert-butyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982924
ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate
CID 3261748
ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate
CID 71764017
ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate
CID 4564483
ethyl 2-(4-chlorophenyl)-3-formylindolizine-1-carboxylate
CID 3706589
ethyl 3-benzoyl-7-benzyl-2-phenylindolizine-1-carboxylate
CID 51056237
ethyl 2-(3-ethyl-4-phenylmethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 5204233
ethyl 3-benzoyl-2-(4-nitrophenyl)indolizine-1-carboxylate
CID 72701002
ethyl 7-benzyl-3-(4-chlorobenzoyl)-2-phenylindolizine-1-carboxylate
CID 51056238
ethyl 2-(4,5-dimethyl-2-phenylmethoxyphenyl)-3-formylindolizine-1-carboxylate
CID 3559256
ethyl 2-(2-chlorophenyl)-3-formylindolizine-1-carboxylate
CID 3700050

Frequently Asked Questions

What is the IUPAC name of ethyl 3-benzyl-2-phenylindolizine-1-carboxylate?
The IUPAC name of ethyl 3-benzyl-2-phenylindolizine-1-carboxylate (CID 138982589) is ethyl 3-benzyl-2-phenylindolizine-1-carboxylate.
What is the SMILES notation for ethyl 3-benzyl-2-phenylindolizine-1-carboxylate?
The canonical SMILES for ethyl 3-benzyl-2-phenylindolizine-1-carboxylate is CCOC(=O)c1c(-c2ccccc2)c(Cc2ccccc2)n2ccccc12.
What is the InChIKey of ethyl 3-benzyl-2-phenylindolizine-1-carboxylate?
The InChIKey is UISCSVMYGVKRKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO2/c1-2-27-24(26)23-20-15-9-10-16-25(20)21(17-18-11-5-3-6-12-18)22(23)19-13-7-4-8-14-19/h3-16H,2,17H2,1H3.
What are the key properties of ethyl 3-benzyl-2-phenylindolizine-1-carboxylate?
ethyl 3-benzyl-2-phenylindolizine-1-carboxylate has a molecular weight of 355.44 g/mol, XLogP of 5.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-benzyl-2-phenylindolizine-1-carboxylate is sourced from PubChem (CID 138982589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).