1-benzyl-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione

C17H19NO3 — CID 139259783

IUPAC1-benzyl-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione
SMILESO=C1CCCCC1C1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H19NO3/c19-15-9-5-4-8-13(15)14-10-16(20)18(17(14)21)11-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyVEXOJVXZKCAZML-UHFFFAOYSA-N
MW285.34 g/mol
LogP2.32
Rot. Bonds3

About 1-benzyl-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione

1-benzyl-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione (PubChem CID 139259783) has the molecular formula C17H19NO3 and a molecular weight of 285.34 g/mol. Its IUPAC name is 1-benzyl-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-benzyl-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione
PubChem CID139259783
Molecular FormulaC17H19NO3
Molecular Weight285.34 g/mol
Exact Mass285.14
IUPAC Name1-benzyl-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione
SMILESO=C1CCCCC1C1CC(=O)N(Cc2ccccc2)C1=O
InChIInChI=1S/C17H19NO3/c19-15-9-5-4-8-13(15)14-10-16(20)18(17(14)21)11-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2
InChIKeyVEXOJVXZKCAZML-UHFFFAOYSA-N
XLogP2.32
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.34
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-benzyl-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione 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-benzyl-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione?
The IUPAC name of 1-benzyl-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione (CID 139259783) is 1-benzyl-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-benzyl-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-benzyl-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione is O=C1CCCCC1C1CC(=O)N(Cc2ccccc2)C1=O.
What is the InChIKey of 1-benzyl-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione?
The InChIKey is VEXOJVXZKCAZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO3/c19-15-9-5-4-8-13(15)14-10-16(20)18(17(14)21)11-12-6-2-1-3-7-12/h1-3,6-7,13-14H,4-5,8-11H2.
What are the key properties of 1-benzyl-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione?
1-benzyl-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione has a molecular weight of 285.34 g/mol, XLogP of 2.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(2-oxocyclohexyl)pyrrolidine-2,5-dione is sourced from PubChem (CID 139259783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).