ethyl 2-oxo-1,5-diphenyl-3H-pyrrole-4-carboxylate

C19H17NO3 — CID 11536842

IUPACethyl 2-oxo-1,5-diphenyl-3H-pyrrole-4-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)N(c2ccccc2)C(=O)C1
InChIInChI=1S/C19H17NO3/c1-2-23-19(22)16-13-17(21)20(15-11-7-4-8-12-15)18(16)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
InChIKeyGLOUXWJKUPSJRH-UHFFFAOYSA-N
MW307.35 g/mol
LogP3.40
Rot. Bonds4

About ethyl 2-oxo-1,5-diphenyl-3H-pyrrole-4-carboxylate

ethyl 2-oxo-1,5-diphenyl-3H-pyrrole-4-carboxylate (PubChem CID 11536842) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is ethyl 2-oxo-1,5-diphenyl-3H-pyrrole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-oxo-1,5-diphenyl-3H-pyrrole-4-carboxylate
PubChem CID11536842
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Nameethyl 2-oxo-1,5-diphenyl-3H-pyrrole-4-carboxylate
SMILESCCOC(=O)C1=C(c2ccccc2)N(c2ccccc2)C(=O)C1
InChIInChI=1S/C19H17NO3/c1-2-23-19(22)16-13-17(21)20(15-11-7-4-8-12-15)18(16)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3
InChIKeyGLOUXWJKUPSJRH-UHFFFAOYSA-N
XLogP3.40
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-oxo-1,5-diphenyl-3H-pyrrole-4-carboxylate?
The IUPAC name of ethyl 2-oxo-1,5-diphenyl-3H-pyrrole-4-carboxylate (CID 11536842) is ethyl 2-oxo-1,5-diphenyl-3H-pyrrole-4-carboxylate.
What is the SMILES notation for ethyl 2-oxo-1,5-diphenyl-3H-pyrrole-4-carboxylate?
The canonical SMILES for ethyl 2-oxo-1,5-diphenyl-3H-pyrrole-4-carboxylate is CCOC(=O)C1=C(c2ccccc2)N(c2ccccc2)C(=O)C1.
What is the InChIKey of ethyl 2-oxo-1,5-diphenyl-3H-pyrrole-4-carboxylate?
The InChIKey is GLOUXWJKUPSJRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO3/c1-2-23-19(22)16-13-17(21)20(15-11-7-4-8-12-15)18(16)14-9-5-3-6-10-14/h3-12H,2,13H2,1H3.
What are the key properties of ethyl 2-oxo-1,5-diphenyl-3H-pyrrole-4-carboxylate?
ethyl 2-oxo-1,5-diphenyl-3H-pyrrole-4-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-oxo-1,5-diphenyl-3H-pyrrole-4-carboxylate is sourced from PubChem (CID 11536842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).