diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate

C18H21NO4 — CID 66570713

IUPACdiethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(C)c1C
InChIInChI=1S/C18H21NO4/c1-5-22-17(20)14-12(3)19(4)16(18(21)23-6-2)15(14)13-10-8-7-9-11-13/h7-11H,5-6H2,1-4H3
InChIKeyJMOUFFUEOMOHGD-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.35
Rot. Bonds5

About diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate

diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate (PubChem CID 66570713) has the molecular formula C18H21NO4 and a molecular weight of 315.37 g/mol. Its IUPAC name is diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate.

Molecular Properties

Compound Namediethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate
PubChem CID66570713
Molecular FormulaC18H21NO4
Molecular Weight315.37 g/mol
Exact Mass315.15
IUPAC Namediethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate
SMILESCCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(C)c1C
InChIInChI=1S/C18H21NO4/c1-5-22-17(20)14-12(3)19(4)16(18(21)23-6-2)15(14)13-10-8-7-9-11-13/h7-11H,5-6H2,1-4H3
InChIKeyJMOUFFUEOMOHGD-UHFFFAOYSA-N
XLogP3.35
TPSA57.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

diethyl 1-benzyl-5-methyl-3-phenylpyrrole-2,4-dicarboxylate
CID 67238833
2-O-(3-chloropropyl) 4-O-ethyl 1-ethyl-5-methyl-3-phenylpyrrole-2,4-dicarboxylate
CID 66914809
ethyl 1-amino-4-methyl-3-phenylpyrrole-2-carboxylate
CID 121004582
ethyl 5-acetyl-4-cyano-1-methyl-3-(4-phenylphenyl)pyrrole-2-carboxylate
CID 70334732
1-O-tert-butyl 3-O-ethyl 2,5-dimethyl-4-phenylpyrrole-1,3-dicarboxylate
CID 135007945
ethyl 1-methyl-2,4-diphenylpyrrole-3-carboxylate
CID 10852115
ethyl 5-methyl-6,8-diphenylindolizine-7-carboxylate
CID 71764017
ethyl 1-(4-methoxyphenyl)-2,5-dimethyl-4-phenylpyrrole-3-carboxylate
CID 102185323
1,1'-biphenyl;diethyl benzene-1,4-dicarboxylate
CID 174703430
ethyl 3-benzoyl-2-phenylnaphtho[2,1-e]indolizine-1-carboxylate
CID 132596240
diethyl 1-benzoyl-2,5-dimethylpyrrole-3,4-dicarboxylate
CID 11371307
diethyl 5-[3,5-bis(ethoxycarbonyl)-4-phenyl-1H-pyrrol-2-yl]-3-phenyl-1H-pyrrole-2,4-dicarboxylate
CID 11731481

Frequently Asked Questions

What is the IUPAC name of diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate?
The IUPAC name of diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate (CID 66570713) is diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate.
What is the SMILES notation for diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate?
The canonical SMILES for diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate is CCOC(=O)c1c(-c2ccccc2)c(C(=O)OCC)n(C)c1C.
What is the InChIKey of diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate?
The InChIKey is JMOUFFUEOMOHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4/c1-5-22-17(20)14-12(3)19(4)16(18(21)23-6-2)15(14)13-10-8-7-9-11-13/h7-11H,5-6H2,1-4H3.
What are the key properties of diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate?
diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate has a molecular weight of 315.37 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 1,5-dimethyl-3-phenylpyrrole-2,4-dicarboxylate is sourced from PubChem (CID 66570713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).