5-ethoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one

C14H17NO4 — CID 3077933

IUPAC5-ethoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one
SMILESCCOC1CCC(=O)N1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H17NO4/c1-3-19-13-9-8-12(16)15(13)14(17)10-4-6-11(18-2)7-5-10/h4-7,13H,3,8-9H2,1-2H3
InChIKeyOWLACAQTBLGHGK-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.82
Rot. Bonds4

About 5-ethoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one

5-ethoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one (PubChem CID 3077933) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 5-ethoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one
PubChem CID3077933
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name5-ethoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one
SMILESCCOC1CCC(=O)N1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C14H17NO4/c1-3-19-13-9-8-12(16)15(13)14(17)10-4-6-11(18-2)7-5-10/h4-7,13H,3,8-9H2,1-2H3
InChIKeyOWLACAQTBLGHGK-UHFFFAOYSA-N
XLogP1.82
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one?
The IUPAC name of 5-ethoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one (CID 3077933) is 5-ethoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one.
What is the SMILES notation for 5-ethoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one?
The canonical SMILES for 5-ethoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one is CCOC1CCC(=O)N1C(=O)c1ccc(OC)cc1.
What is the InChIKey of 5-ethoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one?
The InChIKey is OWLACAQTBLGHGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-3-19-13-9-8-12(16)15(13)14(17)10-4-6-11(18-2)7-5-10/h4-7,13H,3,8-9H2,1-2H3.
What are the key properties of 5-ethoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one?
5-ethoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one has a molecular weight of 263.29 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one is sourced from PubChem (CID 3077933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).