ethyl 5-methyl-2H-pyrrole-3-carboxylate

C8H11NO2 — CID 58158190

IUPACethyl 5-methyl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=CC(C)=NC1
InChIInChI=1S/C8H11NO2/c1-3-11-8(10)7-4-6(2)9-5-7/h4H,3,5H2,1-2H3
InChIKeyLXDKWGLWMGUBLK-UHFFFAOYSA-N
MW153.18 g/mol
LogP0.95
Rot. Bonds2

About ethyl 5-methyl-2H-pyrrole-3-carboxylate

ethyl 5-methyl-2H-pyrrole-3-carboxylate (PubChem CID 58158190) has the molecular formula C8H11NO2 and a molecular weight of 153.18 g/mol. Its IUPAC name is ethyl 5-methyl-2H-pyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-2H-pyrrole-3-carboxylate
PubChem CID58158190
Molecular FormulaC8H11NO2
Molecular Weight153.18 g/mol
Exact Mass153.08
IUPAC Nameethyl 5-methyl-2H-pyrrole-3-carboxylate
SMILESCCOC(=O)C1=CC(C)=NC1
InChIInChI=1S/C8H11NO2/c1-3-11-8(10)7-4-6(2)9-5-7/h4H,3,5H2,1-2H3
InChIKeyLXDKWGLWMGUBLK-UHFFFAOYSA-N
XLogP0.95
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.18
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 5-methyl-2H-pyrrole-3-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 3-acetyl-2H-pyrrole-5-carboxylate
CID 158474233
ethyl 1-methyl-7-propoxy-3H-2-benzazepine-4-carboxylate
CID 134997320
ethyl 2-methyl-3H-pyrrole-4-carboxylate
CID 159437732
ethyl 1H-indene-2-carboxylate
CID 15378309
ethyl cyclopenta-1,3-diene-1-carboxylate
CID 175029931
ethyl 5-methyl-1-pyridin-4-ylpyrazole-3-carboxylate;bis(ethyl 5-methyl-2-pyridin-4-ylpyrazole-3-carboxylate);ethyl 5-methyl-2H-pyrrole-3-carboxylate;5-methyl-2-pyridin-4-ylpyrazole-3-carboxylic acid;pyridin-4-ylboronic acid
CID 164984110
ethyl (3S)-3-aminocyclohexene-1-carboxylate
CID 153367681
ethyl 6-oxo-2,3-dihydro-1H-pyridine-4-carboxylate
CID 67531102
ethyl cycloundecene-1-carboxylate
CID 154164177
ethyl 1,3,5-triazine-2-carboxylate
CID 23260906
ethyl pyridazine-4-carboxylate;hydron
CID 174586916
ethyl 1-methyl-3,6-dihydro-2H-pyridine-4-carboxylate
CID 566021

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-2H-pyrrole-3-carboxylate?
The IUPAC name of ethyl 5-methyl-2H-pyrrole-3-carboxylate (CID 58158190) is ethyl 5-methyl-2H-pyrrole-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-2H-pyrrole-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-2H-pyrrole-3-carboxylate is CCOC(=O)C1=CC(C)=NC1.
What is the InChIKey of ethyl 5-methyl-2H-pyrrole-3-carboxylate?
The InChIKey is LXDKWGLWMGUBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO2/c1-3-11-8(10)7-4-6(2)9-5-7/h4H,3,5H2,1-2H3.
What are the key properties of ethyl 5-methyl-2H-pyrrole-3-carboxylate?
ethyl 5-methyl-2H-pyrrole-3-carboxylate has a molecular weight of 153.18 g/mol, XLogP of 0.95, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-2H-pyrrole-3-carboxylate is sourced from PubChem (CID 58158190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).