1-benzoyl-5-propoxypyrrolidin-2-one

C14H17NO3 — CID 3077936

IUPAC1-benzoyl-5-propoxypyrrolidin-2-one
SMILESCCCOC1CCC(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-2-10-18-13-9-8-12(16)15(13)14(17)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKeyZGIUFNYQCVGSLL-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.20
Rot. Bonds4

About 1-benzoyl-5-propoxypyrrolidin-2-one

1-benzoyl-5-propoxypyrrolidin-2-one (PubChem CID 3077936) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 1-benzoyl-5-propoxypyrrolidin-2-one.

Molecular Properties

Compound Name1-benzoyl-5-propoxypyrrolidin-2-one
PubChem CID3077936
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name1-benzoyl-5-propoxypyrrolidin-2-one
SMILESCCCOC1CCC(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C14H17NO3/c1-2-10-18-13-9-8-12(16)15(13)14(17)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3
InChIKeyZGIUFNYQCVGSLL-UHFFFAOYSA-N
XLogP2.20
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzoyl-5-propoxypyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-5-propoxypyrrolidin-2-one?
The IUPAC name of 1-benzoyl-5-propoxypyrrolidin-2-one (CID 3077936) is 1-benzoyl-5-propoxypyrrolidin-2-one.
What is the SMILES notation for 1-benzoyl-5-propoxypyrrolidin-2-one?
The canonical SMILES for 1-benzoyl-5-propoxypyrrolidin-2-one is CCCOC1CCC(=O)N1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-5-propoxypyrrolidin-2-one?
The InChIKey is ZGIUFNYQCVGSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-2-10-18-13-9-8-12(16)15(13)14(17)11-6-4-3-5-7-11/h3-7,13H,2,8-10H2,1H3.
What are the key properties of 1-benzoyl-5-propoxypyrrolidin-2-one?
1-benzoyl-5-propoxypyrrolidin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-5-propoxypyrrolidin-2-one is sourced from PubChem (CID 3077936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).