1-benzoyl-5-methoxypyrrolidin-2-one

C12H13NO3 — CID 3077930

IUPAC1-benzoyl-5-methoxypyrrolidin-2-one
SMILESCOC1CCC(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C12H13NO3/c1-16-11-8-7-10(14)13(11)12(15)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyZCHBAECBIORSSH-UHFFFAOYSA-N
MW219.24 g/mol
LogP1.42
Rot. Bonds2

About 1-benzoyl-5-methoxypyrrolidin-2-one

1-benzoyl-5-methoxypyrrolidin-2-one (PubChem CID 3077930) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is 1-benzoyl-5-methoxypyrrolidin-2-one.

Molecular Properties

Compound Name1-benzoyl-5-methoxypyrrolidin-2-one
PubChem CID3077930
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name1-benzoyl-5-methoxypyrrolidin-2-one
SMILESCOC1CCC(=O)N1C(=O)c1ccccc1
InChIInChI=1S/C12H13NO3/c1-16-11-8-7-10(14)13(11)12(15)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3
InChIKeyZCHBAECBIORSSH-UHFFFAOYSA-N
XLogP1.42
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzoyl-5-methoxypyrrolidin-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-methoxypyrrolidin-2-one?
The IUPAC name of 1-benzoyl-5-methoxypyrrolidin-2-one (CID 3077930) is 1-benzoyl-5-methoxypyrrolidin-2-one.
What is the SMILES notation for 1-benzoyl-5-methoxypyrrolidin-2-one?
The canonical SMILES for 1-benzoyl-5-methoxypyrrolidin-2-one is COC1CCC(=O)N1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-5-methoxypyrrolidin-2-one?
The InChIKey is ZCHBAECBIORSSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO3/c1-16-11-8-7-10(14)13(11)12(15)9-5-3-2-4-6-9/h2-6,11H,7-8H2,1H3.
What are the key properties of 1-benzoyl-5-methoxypyrrolidin-2-one?
1-benzoyl-5-methoxypyrrolidin-2-one has a molecular weight of 219.24 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-5-methoxypyrrolidin-2-one is sourced from PubChem (CID 3077930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).