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

C16H21NO4 — CID 3077940

IUPAC5-butoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one
SMILESCCCCOC1CCC(=O)N1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H21NO4/c1-3-4-11-21-15-10-9-14(18)17(15)16(19)12-5-7-13(20-2)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyVIZVKJXMIFLHDT-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.60
Rot. Bonds6

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

5-butoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one (PubChem CID 3077940) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is 5-butoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one.

Molecular Properties

Compound Name5-butoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one
PubChem CID3077940
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Name5-butoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one
SMILESCCCCOC1CCC(=O)N1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C16H21NO4/c1-3-4-11-21-15-10-9-14(18)17(15)16(19)12-5-7-13(20-2)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3
InChIKeyVIZVKJXMIFLHDT-UHFFFAOYSA-N
XLogP2.60
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-butoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one?
The IUPAC name of 5-butoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one (CID 3077940) is 5-butoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one.
What is the SMILES notation for 5-butoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one?
The canonical SMILES for 5-butoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one is CCCCOC1CCC(=O)N1C(=O)c1ccc(OC)cc1.
What is the InChIKey of 5-butoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one?
The InChIKey is VIZVKJXMIFLHDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO4/c1-3-4-11-21-15-10-9-14(18)17(15)16(19)12-5-7-13(20-2)8-6-12/h5-8,15H,3-4,9-11H2,1-2H3.
What are the key properties of 5-butoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one?
5-butoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one has a molecular weight of 291.35 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butoxy-1-(4-methoxybenzoyl)pyrrolidin-2-one is sourced from PubChem (CID 3077940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).