ethyl 2-oxo-5-phenyl-1,3-dihydropyrrole-4-carboxylate

C13H13NO3 — CID 11183841

IUPACethyl 2-oxo-5-phenyl-1,3-dihydropyrrole-4-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(=O)C1
InChIInChI=1S/C13H13NO3/c1-2-17-13(16)10-8-11(15)14-12(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,14,15)
InChIKeyFKEHEUVXUIVPLY-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.48
Rot. Bonds3

About ethyl 2-oxo-5-phenyl-1,3-dihydropyrrole-4-carboxylate

ethyl 2-oxo-5-phenyl-1,3-dihydropyrrole-4-carboxylate (PubChem CID 11183841) has the molecular formula C13H13NO3 and a molecular weight of 231.25 g/mol. Its IUPAC name is ethyl 2-oxo-5-phenyl-1,3-dihydropyrrole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-5-phenyl-1,3-dihydropyrrole-4-carboxylate
PubChem CID11183841
Molecular FormulaC13H13NO3
Molecular Weight231.25 g/mol
Exact Mass231.09
IUPAC Nameethyl 2-oxo-5-phenyl-1,3-dihydropyrrole-4-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)NC(=O)C1
InChIInChI=1S/C13H13NO3/c1-2-17-13(16)10-8-11(15)14-12(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,14,15)
InChIKeyFKEHEUVXUIVPLY-UHFFFAOYSA-N
XLogP1.48
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl 2-oxo-5-phenyl-1,3-dihydropyrrole-4-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 2-oxo-5-phenyl-1,3-dihydropyrrole-4-carboxylate?
The IUPAC name of ethyl 2-oxo-5-phenyl-1,3-dihydropyrrole-4-carboxylate (CID 11183841) is ethyl 2-oxo-5-phenyl-1,3-dihydropyrrole-4-carboxylate.
What is the SMILES notation for ethyl 2-oxo-5-phenyl-1,3-dihydropyrrole-4-carboxylate?
The canonical SMILES for ethyl 2-oxo-5-phenyl-1,3-dihydropyrrole-4-carboxylate is CCOC(=O)C1=C(c2ccccc2)NC(=O)C1.
What is the InChIKey of ethyl 2-oxo-5-phenyl-1,3-dihydropyrrole-4-carboxylate?
The InChIKey is FKEHEUVXUIVPLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO3/c1-2-17-13(16)10-8-11(15)14-12(10)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,14,15).
What are the key properties of ethyl 2-oxo-5-phenyl-1,3-dihydropyrrole-4-carboxylate?
ethyl 2-oxo-5-phenyl-1,3-dihydropyrrole-4-carboxylate has a molecular weight of 231.25 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-5-phenyl-1,3-dihydropyrrole-4-carboxylate is sourced from PubChem (CID 11183841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).