1-cyclopentyl-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione

C17H22N2O2 — CID 43637342

IUPAC1-cyclopentyl-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(NC2CC(=O)N(C3CCCC3)C2=O)c1
InChIInChI=1S/C17H22N2O2/c1-11-7-8-12(2)14(9-11)18-15-10-16(20)19(17(15)21)13-5-3-4-6-13/h7-9,13,15,18H,3-6,10H2,1-2H3
InChIKeyMEMUMOMYCPCFDX-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.79
Rot. Bonds3

About 1-cyclopentyl-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione

1-cyclopentyl-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione (PubChem CID 43637342) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopentyl-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione
PubChem CID43637342
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-cyclopentyl-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione
SMILESCc1ccc(C)c(NC2CC(=O)N(C3CCCC3)C2=O)c1
InChIInChI=1S/C17H22N2O2/c1-11-7-8-12(2)14(9-11)18-15-10-16(20)19(17(15)21)13-5-3-4-6-13/h7-9,13,15,18H,3-6,10H2,1-2H3
InChIKeyMEMUMOMYCPCFDX-UHFFFAOYSA-N
XLogP2.79
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopentyl-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione (CID 43637342) is 1-cyclopentyl-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopentyl-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopentyl-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione is Cc1ccc(C)c(NC2CC(=O)N(C3CCCC3)C2=O)c1.
What is the InChIKey of 1-cyclopentyl-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione?
The InChIKey is MEMUMOMYCPCFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-11-7-8-12(2)14(9-11)18-15-10-16(20)19(17(15)21)13-5-3-4-6-13/h7-9,13,15,18H,3-6,10H2,1-2H3.
What are the key properties of 1-cyclopentyl-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione?
1-cyclopentyl-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione has a molecular weight of 286.38 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-(2,5-dimethylanilino)pyrrolidine-2,5-dione is sourced from PubChem (CID 43637342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).