1-(4-methoxybenzoyl)-5-pentoxypyrrolidin-2-one

C17H23NO4 — CID 3077945

IUPAC1-(4-methoxybenzoyl)-5-pentoxypyrrolidin-2-one
SMILESCCCCCOC1CCC(=O)N1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H23NO4/c1-3-4-5-12-22-16-11-10-15(19)18(16)17(20)13-6-8-14(21-2)9-7-13/h6-9,16H,3-5,10-12H2,1-2H3
InChIKeyLQARFPFBWXUUDW-UHFFFAOYSA-N
MW305.37 g/mol
LogP2.99
Rot. Bonds7

About 1-(4-methoxybenzoyl)-5-pentoxypyrrolidin-2-one

1-(4-methoxybenzoyl)-5-pentoxypyrrolidin-2-one (PubChem CID 3077945) has the molecular formula C17H23NO4 and a molecular weight of 305.37 g/mol. Its IUPAC name is 1-(4-methoxybenzoyl)-5-pentoxypyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-methoxybenzoyl)-5-pentoxypyrrolidin-2-one
PubChem CID3077945
Molecular FormulaC17H23NO4
Molecular Weight305.37 g/mol
Exact Mass305.16
IUPAC Name1-(4-methoxybenzoyl)-5-pentoxypyrrolidin-2-one
SMILESCCCCCOC1CCC(=O)N1C(=O)c1ccc(OC)cc1
InChIInChI=1S/C17H23NO4/c1-3-4-5-12-22-16-11-10-15(19)18(16)17(20)13-6-8-14(21-2)9-7-13/h6-9,16H,3-5,10-12H2,1-2H3
InChIKeyLQARFPFBWXUUDW-UHFFFAOYSA-N
XLogP2.99
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.37
LogP ≤ 52.99
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 1-(4-methoxybenzoyl)-5-pentoxypyrrolidin-2-one?
The IUPAC name of 1-(4-methoxybenzoyl)-5-pentoxypyrrolidin-2-one (CID 3077945) is 1-(4-methoxybenzoyl)-5-pentoxypyrrolidin-2-one.
What is the SMILES notation for 1-(4-methoxybenzoyl)-5-pentoxypyrrolidin-2-one?
The canonical SMILES for 1-(4-methoxybenzoyl)-5-pentoxypyrrolidin-2-one is CCCCCOC1CCC(=O)N1C(=O)c1ccc(OC)cc1.
What is the InChIKey of 1-(4-methoxybenzoyl)-5-pentoxypyrrolidin-2-one?
The InChIKey is LQARFPFBWXUUDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO4/c1-3-4-5-12-22-16-11-10-15(19)18(16)17(20)13-6-8-14(21-2)9-7-13/h6-9,16H,3-5,10-12H2,1-2H3.
What are the key properties of 1-(4-methoxybenzoyl)-5-pentoxypyrrolidin-2-one?
1-(4-methoxybenzoyl)-5-pentoxypyrrolidin-2-one has a molecular weight of 305.37 g/mol, XLogP of 2.99, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxybenzoyl)-5-pentoxypyrrolidin-2-one is sourced from PubChem (CID 3077945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).