ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate

C14H16N2O5 — CID 57142997

IUPACethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1On1cccc1C(=O)OCC
InChIInChI=1S/C14H16N2O5/c1-3-19-13(17)11-7-5-9-15(11)21-16-10-6-8-12(16)14(18)20-4-2/h5-10H,3-4H2,1-2H3
InChIKeySEVYCOQKNWVNBR-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.53
Rot. Bonds6

About ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate

ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate (PubChem CID 57142997) has the molecular formula C14H16N2O5 and a molecular weight of 292.29 g/mol. Its IUPAC name is ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate
PubChem CID57142997
Molecular FormulaC14H16N2O5
Molecular Weight292.29 g/mol
Exact Mass292.11
IUPAC Nameethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate
SMILESCCOC(=O)c1cccn1On1cccc1C(=O)OCC
InChIInChI=1S/C14H16N2O5/c1-3-19-13(17)11-7-5-9-15(11)21-16-10-6-8-12(16)14(18)20-4-2/h5-10H,3-4H2,1-2H3
InChIKeySEVYCOQKNWVNBR-UHFFFAOYSA-N
XLogP1.53
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-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-formylpyrrole-2-carboxylate
CID 69374156
ethyl 1-(methylamino)pyrrole-2-carboxylate
CID 90307328
ethyl 1-(2-methylphenyl)pyrrole-2-carboxylate
CID 11436139
ethyl 1-(4-chlorophenyl)pyrrole-2-carboxylate
CID 170871926
ethyl 1-(2-methylbutyl)pyrrole-2-carboxylate
CID 102604439
ethyl 1-[(1-methylpyrazol-3-yl)methyl]pyrrole-2-carboxylate
CID 105422066
ethyl 1-[(1-methyltriazol-4-yl)methyl]pyrrole-2-carboxylate
CID 107044007
ethyl 1-(1-phenylethyl)pyrrole-2-carboxylate
CID 75166606
5-(2-ethoxycarbonylpyrrol-1-yl)pentanoic acid
CID 83793284
ethyl 1-(cyclopentylmethyl)pyrrole-2-carboxylate
CID 105422013
ethyl 1-[2-(2-hydroxyethoxy)ethyl]pyrrole-2-carboxylate
CID 105422074
ethyl 1-[2-(diethylamino)ethyl]pyrrole-2-carboxylate
CID 105422054

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate?
The IUPAC name of ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate (CID 57142997) is ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate.
What is the SMILES notation for ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate?
The canonical SMILES for ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate is CCOC(=O)c1cccn1On1cccc1C(=O)OCC.
What is the InChIKey of ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate?
The InChIKey is SEVYCOQKNWVNBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O5/c1-3-19-13(17)11-7-5-9-15(11)21-16-10-6-8-12(16)14(18)20-4-2/h5-10H,3-4H2,1-2H3.
What are the key properties of ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate?
ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate has a molecular weight of 292.29 g/mol, XLogP of 1.53, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(2-ethoxycarbonylpyrrol-1-yl)oxypyrrole-2-carboxylate is sourced from PubChem (CID 57142997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).