ethyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate

C10H15NO2 — CID 14057066

IUPACethyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(CC)c1C
InChIInChI=1S/C10H15NO2/c1-4-8-6-11-9(7(8)3)10(12)13-5-2/h6,11H,4-5H2,1-3H3
InChIKeyVRVOLGXNSYCRON-UHFFFAOYSA-N
MW181.23 g/mol
LogP2.06
Rot. Bonds3

About ethyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate

ethyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate (PubChem CID 14057066) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is ethyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
PubChem CID14057066
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Nameethyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate
SMILESCCOC(=O)c1[nH]cc(CC)c1C
InChIInChI=1S/C10H15NO2/c1-4-8-6-11-9(7(8)3)10(12)13-5-2/h6,11H,4-5H2,1-3H3
InChIKeyVRVOLGXNSYCRON-UHFFFAOYSA-N
XLogP2.06
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze ethyl 4-ethyl-3-methyl-1H-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

Frequently Asked Questions

What is the IUPAC name of ethyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate?
The IUPAC name of ethyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate (CID 14057066) is ethyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate.
What is the SMILES notation for ethyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate?
The canonical SMILES for ethyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate is CCOC(=O)c1[nH]cc(CC)c1C.
What is the InChIKey of ethyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate?
The InChIKey is VRVOLGXNSYCRON-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-4-8-6-11-9(7(8)3)10(12)13-5-2/h6,11H,4-5H2,1-3H3.
What are the key properties of ethyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate?
ethyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate has a molecular weight of 181.23 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate is sourced from PubChem (CID 14057066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).