1-cyclopropyl-3-[1-(4-methylphenyl)ethylamino]pyrrolidine-2,5-dione

C16H20N2O2 — CID 60934095

IUPAC1-cyclopropyl-3-[1-(4-methylphenyl)ethylamino]pyrrolidine-2,5-dione
SMILESCc1ccc(C(C)NC2CC(=O)N(C3CC3)C2=O)cc1
InChIInChI=1S/C16H20N2O2/c1-10-3-5-12(6-4-10)11(2)17-14-9-15(19)18(16(14)20)13-7-8-13/h3-6,11,13-14,17H,7-9H2,1-2H3
InChIKeyQMOWYDQVVCHFHJ-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.94
Rot. Bonds4

About 1-cyclopropyl-3-[1-(4-methylphenyl)ethylamino]pyrrolidine-2,5-dione

1-cyclopropyl-3-[1-(4-methylphenyl)ethylamino]pyrrolidine-2,5-dione (PubChem CID 60934095) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 1-cyclopropyl-3-[1-(4-methylphenyl)ethylamino]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-cyclopropyl-3-[1-(4-methylphenyl)ethylamino]pyrrolidine-2,5-dione
PubChem CID60934095
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name1-cyclopropyl-3-[1-(4-methylphenyl)ethylamino]pyrrolidine-2,5-dione
SMILESCc1ccc(C(C)NC2CC(=O)N(C3CC3)C2=O)cc1
InChIInChI=1S/C16H20N2O2/c1-10-3-5-12(6-4-10)11(2)17-14-9-15(19)18(16(14)20)13-7-8-13/h3-6,11,13-14,17H,7-9H2,1-2H3
InChIKeyQMOWYDQVVCHFHJ-UHFFFAOYSA-N
XLogP1.94
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.94
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-cyclopropyl-3-[1-(4-methylphenyl)ethylamino]pyrrolidine-2,5-dione?
The IUPAC name of 1-cyclopropyl-3-[1-(4-methylphenyl)ethylamino]pyrrolidine-2,5-dione (CID 60934095) is 1-cyclopropyl-3-[1-(4-methylphenyl)ethylamino]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-cyclopropyl-3-[1-(4-methylphenyl)ethylamino]pyrrolidine-2,5-dione?
The canonical SMILES for 1-cyclopropyl-3-[1-(4-methylphenyl)ethylamino]pyrrolidine-2,5-dione is Cc1ccc(C(C)NC2CC(=O)N(C3CC3)C2=O)cc1.
What is the InChIKey of 1-cyclopropyl-3-[1-(4-methylphenyl)ethylamino]pyrrolidine-2,5-dione?
The InChIKey is QMOWYDQVVCHFHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-10-3-5-12(6-4-10)11(2)17-14-9-15(19)18(16(14)20)13-7-8-13/h3-6,11,13-14,17H,7-9H2,1-2H3.
What are the key properties of 1-cyclopropyl-3-[1-(4-methylphenyl)ethylamino]pyrrolidine-2,5-dione?
1-cyclopropyl-3-[1-(4-methylphenyl)ethylamino]pyrrolidine-2,5-dione has a molecular weight of 272.35 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-[1-(4-methylphenyl)ethylamino]pyrrolidine-2,5-dione is sourced from PubChem (CID 60934095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).