1-benzoyl-5-pentan-2-yloxypyrrolidin-2-one

C16H21NO3 — CID 3077950

IUPAC1-benzoyl-5-pentan-2-yloxypyrrolidin-2-one
SMILESCCCC(C)OC1CCC(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-3-7-12(2)20-15-11-10-14(18)17(15)16(19)13-8-5-4-6-9-13/h4-6,8-9,12,15H,3,7,10-11H2,1-2H3
InChIKeyDMNANXGXENPULZ-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.98
Rot. Bonds5

About 1-benzoyl-5-pentan-2-yloxypyrrolidin-2-one

1-benzoyl-5-pentan-2-yloxypyrrolidin-2-one (PubChem CID 3077950) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-benzoyl-5-pentan-2-yloxypyrrolidin-2-one.

Molecular Properties

Compound Name1-benzoyl-5-pentan-2-yloxypyrrolidin-2-one
PubChem CID3077950
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name1-benzoyl-5-pentan-2-yloxypyrrolidin-2-one
SMILESCCCC(C)OC1CCC(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C16H21NO3/c1-3-7-12(2)20-15-11-10-14(18)17(15)16(19)13-8-5-4-6-9-13/h4-6,8-9,12,15H,3,7,10-11H2,1-2H3
InChIKeyDMNANXGXENPULZ-UHFFFAOYSA-N
XLogP2.98
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzoyl-5-pentan-2-yloxypyrrolidin-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-pentan-2-yloxypyrrolidin-2-one?
The IUPAC name of 1-benzoyl-5-pentan-2-yloxypyrrolidin-2-one (CID 3077950) is 1-benzoyl-5-pentan-2-yloxypyrrolidin-2-one.
What is the SMILES notation for 1-benzoyl-5-pentan-2-yloxypyrrolidin-2-one?
The canonical SMILES for 1-benzoyl-5-pentan-2-yloxypyrrolidin-2-one is CCCC(C)OC1CCC(=O)N1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-5-pentan-2-yloxypyrrolidin-2-one?
The InChIKey is DMNANXGXENPULZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-3-7-12(2)20-15-11-10-14(18)17(15)16(19)13-8-5-4-6-9-13/h4-6,8-9,12,15H,3,7,10-11H2,1-2H3.
What are the key properties of 1-benzoyl-5-pentan-2-yloxypyrrolidin-2-one?
1-benzoyl-5-pentan-2-yloxypyrrolidin-2-one has a molecular weight of 275.35 g/mol, XLogP of 2.98, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-5-pentan-2-yloxypyrrolidin-2-one is sourced from PubChem (CID 3077950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).