ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate

C14H15NO2 — CID 11436139

IUPACethyl 1-(2-methylphenyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1-c1ccccc1C
InChIInChI=1S/C14H15NO2/c1-3-17-14(16)13-9-6-10-15(13)12-8-5-4-7-11(12)2/h4-10H,3H2,1-2H3
InChIKeyPSDAFOXCSLGAFQ-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.96
Rot. Bonds3

About ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate

ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate (PubChem CID 11436139) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-methylphenyl)pyrrole-2-carboxylate
PubChem CID11436139
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Nameethyl 1-(2-methylphenyl)pyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1-c1ccccc1C
InChIInChI=1S/C14H15NO2/c1-3-17-14(16)13-9-6-10-15(13)12-8-5-4-7-11(12)2/h4-10H,3H2,1-2H3
InChIKeyPSDAFOXCSLGAFQ-UHFFFAOYSA-N
XLogP2.96
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate 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

ethyl 1-(4-chlorophenyl)pyrrole-2-carboxylate
CID 170871926
ethyl 1-(2-methylphenyl)-6-oxopyridine-3-carboxylate
CID 11499855
ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate
CID 57142997
ethyl 1-(4-methyl-2-nitrophenyl)pyrrole-2-carboxylate
CID 170872126
ethyl 1-(methylamino)pyrrole-2-carboxylate
CID 90307328
ethyl 1-formylpyrrole-2-carboxylate
CID 69374156
triethyl 1-(2-methylphenyl)-4-oxopyridine-2,3,5-tricarboxylate
CID 162715184
ethyl 1-(2-methylbutyl)pyrrole-2-carboxylate
CID 102604439
ethyl 5-methyl-2-(2-methylphenyl)triazole-4-carboxylate
CID 50873970
ethyl 1-(1-phenylethyl)pyrrole-2-carboxylate
CID 75166606
ethyl 2-pyrrol-1-ylbenzoate
CID 12673310
ethyl 1-(2-phenylethynyl)pyrrole-2-carboxylate
CID 134862810

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate?
The IUPAC name of ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate (CID 11436139) is ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate is CCOC(=O)c1cccn1-c1ccccc1C.
What is the InChIKey of ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate?
The InChIKey is PSDAFOXCSLGAFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-17-14(16)13-9-6-10-15(13)12-8-5-4-7-11(12)2/h4-10H,3H2,1-2H3.
What are the key properties of ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate?
ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate is sourced from PubChem (CID 11436139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).