ethyl 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylpyrrole-3-carboxylate

C20H24N2O3 — CID 3242079

IUPACethyl 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCCC2)c1C
InChIInChI=1S/C20H24N2O3/c1-3-25-20(24)17-13-18(16-9-5-4-6-10-16)22(15(17)2)14-19(23)21-11-7-8-12-21/h4-6,9-10,13H,3,7-8,11-12,14H2,1-2H3
InChIKeyIALSPVAZYSXLIL-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.26
Rot. Bonds5

About ethyl 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylpyrrole-3-carboxylate

ethyl 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylpyrrole-3-carboxylate (PubChem CID 3242079) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is ethyl 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylpyrrole-3-carboxylate.

Molecular Properties

Compound Nameethyl 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylpyrrole-3-carboxylate
PubChem CID3242079
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Nameethyl 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylpyrrole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCCC2)c1C
InChIInChI=1S/C20H24N2O3/c1-3-25-20(24)17-13-18(16-9-5-4-6-10-16)22(15(17)2)14-19(23)21-11-7-8-12-21/h4-6,9-10,13H,3,7-8,11-12,14H2,1-2H3
InChIKeyIALSPVAZYSXLIL-UHFFFAOYSA-N
XLogP3.26
TPSA51.54 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylpyrrole-3-carboxylate?
The IUPAC name of ethyl 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylpyrrole-3-carboxylate (CID 3242079) is ethyl 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylpyrrole-3-carboxylate.
What is the SMILES notation for ethyl 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylpyrrole-3-carboxylate?
The canonical SMILES for ethyl 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylpyrrole-3-carboxylate is CCOC(=O)c1cc(-c2ccccc2)n(CC(=O)N2CCCC2)c1C.
What is the InChIKey of ethyl 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylpyrrole-3-carboxylate?
The InChIKey is IALSPVAZYSXLIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-25-20(24)17-13-18(16-9-5-4-6-10-16)22(15(17)2)14-19(23)21-11-7-8-12-21/h4-6,9-10,13H,3,7-8,11-12,14H2,1-2H3.
What are the key properties of ethyl 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylpyrrole-3-carboxylate?
ethyl 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylpyrrole-3-carboxylate has a molecular weight of 340.42 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-5-phenylpyrrole-3-carboxylate is sourced from PubChem (CID 3242079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).