methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

C13H15NO4 — CID 3107632

IUPACmethyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C13H15NO4/c1-17-11-5-3-10(4-6-11)14-8-9(7-12(14)15)13(16)18-2/h3-6,9H,7-8H2,1-2H3
InChIKeyWSZMKQFUWQHLIJ-UHFFFAOYSA-N
MW249.27 g/mol
LogP1.22
Rot. Bonds3

About methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate

methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (PubChem CID 3107632) has the molecular formula C13H15NO4 and a molecular weight of 249.27 g/mol. Its IUPAC name is methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
PubChem CID3107632
Molecular FormulaC13H15NO4
Molecular Weight249.27 g/mol
Exact Mass249.10
IUPAC Namemethyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
SMILESCOC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1
InChIInChI=1S/C13H15NO4/c1-17-11-5-3-10(4-6-11)14-8-9(7-12(14)15)13(16)18-2/h3-6,9H,7-8H2,1-2H3
InChIKeyWSZMKQFUWQHLIJ-UHFFFAOYSA-N
XLogP1.22
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The IUPAC name of methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate (CID 3107632) is methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The canonical SMILES for methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is COC(=O)C1CC(=O)N(c2ccc(OC)cc2)C1.
What is the InChIKey of methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
The InChIKey is WSZMKQFUWQHLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO4/c1-17-11-5-3-10(4-6-11)14-8-9(7-12(14)15)13(16)18-2/h3-6,9H,7-8H2,1-2H3.
What are the key properties of methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate?
methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate has a molecular weight of 249.27 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(4-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate is sourced from PubChem (CID 3107632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).