ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate

C20H19NO2 — CID 10852115

IUPACethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cn(C)c1-c1ccccc1
InChIInChI=1S/C20H19NO2/c1-3-23-20(22)18-17(15-10-6-4-7-11-15)14-21(2)19(18)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3
InChIKeyUCFJROHXZJUCQW-UHFFFAOYSA-N
MW305.38 g/mol
LogP4.54
Rot. Bonds4

About ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate

ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate (PubChem CID 10852115) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate
PubChem CID10852115
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Nameethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)cn(C)c1-c1ccccc1
InChIInChI=1S/C20H19NO2/c1-3-23-20(22)18-17(15-10-6-4-7-11-15)14-21(2)19(18)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3
InChIKeyUCFJROHXZJUCQW-UHFFFAOYSA-N
XLogP4.54
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-methyl-4-phenyl-1-pyrrol-1-ylpyrrole-3-carboxylate
CID 67945560
2-(4-methoxyphenyl)-1-methyl-4-phenylpyrrole-3-carboxylic acid
CID 3730701
ethyl 2-methyl-6-phenylbenzoate
CID 86249615
ethyl 2-chloro-4-phenylquinoline-3-carboxylate
CID 15669479
ethyl 1-methyl-4-oxo-2,6-diphenylpyridine-3-carboxylate
CID 14075368
diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate
CID 66570713
ethyl 4-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-1-methyl-5-phenylpyrrole-3-carboxylate
CID 102427727
ethyl 1-butyl-2,4-dimethyl-5-phenylpyrrole-3-carboxylate
CID 102196273
ethyl 2-hydroxy-4-phenylnaphthalene-1-carboxylate
CID 13200815
ethyl 2-amino-4-phenyl-1H-pyrrole-3-carboxylate
CID 2763622
ethyl 5-hydroxy-1-methyl-2-phenylindole-3-carboxylate
CID 1257583
ethyl 1-benzyl-3,4-diphenylpyrrole-2-carboxylate
CID 10915918

Frequently Asked Questions

What is the IUPAC name of ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate?
The IUPAC name of ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate (CID 10852115) is ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate is CCOC(=O)c1c(-c2ccccc2)cn(C)c1-c1ccccc1.
What is the InChIKey of ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate?
The InChIKey is UCFJROHXZJUCQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c1-3-23-20(22)18-17(15-10-6-4-7-11-15)14-21(2)19(18)16-12-8-5-9-13-16/h4-14H,3H2,1-2H3.
What are the key properties of ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate?
ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate has a molecular weight of 305.38 g/mol, XLogP of 4.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate is sourced from PubChem (CID 10852115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).