methyl 3-benzyl-2-phenylindolizine-1-carboxylate

C23H19NO2 — CID 138982755

IUPACmethyl 3-benzyl-2-phenylindolizine-1-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c(Cc2ccccc2)n2ccccc12
InChIInChI=1S/C23H19NO2/c1-26-23(25)22-19-14-8-9-15-24(19)20(16-17-10-4-2-5-11-17)21(22)18-12-6-3-7-13-18/h2-15H,16H2,1H3
InChIKeyGJODEYJKZAUDRD-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.98
Rot. Bonds4

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

methyl 3-benzyl-2-phenylindolizine-1-carboxylate (PubChem CID 138982755) has the molecular formula C23H19NO2 and a molecular weight of 341.41 g/mol. Its IUPAC name is methyl 3-benzyl-2-phenylindolizine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-benzyl-2-phenylindolizine-1-carboxylate
PubChem CID138982755
Molecular FormulaC23H19NO2
Molecular Weight341.41 g/mol
Exact Mass341.14
IUPAC Namemethyl 3-benzyl-2-phenylindolizine-1-carboxylate
SMILESCOC(=O)c1c(-c2ccccc2)c(Cc2ccccc2)n2ccccc12
InChIInChI=1S/C23H19NO2/c1-26-23(25)22-19-14-8-9-15-24(19)20(16-17-10-4-2-5-11-17)21(22)18-12-6-3-7-13-18/h2-15H,16H2,1H3
InChIKeyGJODEYJKZAUDRD-UHFFFAOYSA-N
XLogP4.98
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982589
tert-butyl 3-benzyl-2-phenylindolizine-1-carboxylate
CID 138982924
methyl 1-benzoyl-2-phenylindolizine-3-carboxylate
CID 23251514
methyl 2-(4-bromophenyl)-3-methylindolizine-1-carboxylate
CID 102142816
ethyl 3-formyl-2-(4-phenylphenyl)indolizine-1-carboxylate
CID 3261748
methyl 1-benzoyl-2-(4-cyanophenyl)indolizine-3-carboxylate
CID 11280435
ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate
CID 71764017
2-[2-methyl-3-[(2-phenylphenyl)methyl]indolizin-1-yl]-2-oxoacetamide
CID 20592731
methyl 1-methyl-2-oxo-4-phenylquinoline-3-carboxylate
CID 154227733
(1-anilino-5-benzyl-2-methyl-4-phenylpyrrol-3-yl)-phenylmethanone
CID 13147310
methyl 2-(4-chlorophenyl)indolizine-1-carboxylate
CID 122364002
ethyl 3-formyl-2-pyridin-4-ylindolizine-1-carboxylate
CID 4564483

Frequently Asked Questions

What is the IUPAC name of methyl 3-benzyl-2-phenylindolizine-1-carboxylate?
The IUPAC name of methyl 3-benzyl-2-phenylindolizine-1-carboxylate (CID 138982755) is methyl 3-benzyl-2-phenylindolizine-1-carboxylate.
What is the SMILES notation for methyl 3-benzyl-2-phenylindolizine-1-carboxylate?
The canonical SMILES for methyl 3-benzyl-2-phenylindolizine-1-carboxylate is COC(=O)c1c(-c2ccccc2)c(Cc2ccccc2)n2ccccc12.
What is the InChIKey of methyl 3-benzyl-2-phenylindolizine-1-carboxylate?
The InChIKey is GJODEYJKZAUDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19NO2/c1-26-23(25)22-19-14-8-9-15-24(19)20(16-17-10-4-2-5-11-17)21(22)18-12-6-3-7-13-18/h2-15H,16H2,1H3.
What are the key properties of methyl 3-benzyl-2-phenylindolizine-1-carboxylate?
methyl 3-benzyl-2-phenylindolizine-1-carboxylate has a molecular weight of 341.41 g/mol, XLogP of 4.98, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-benzyl-2-phenylindolizine-1-carboxylate is sourced from PubChem (CID 138982755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).