3,4-diethyl-1-phenylpyrrolidine-2,5-dione

C14H17NO2 — CID 20609571

IUPAC3,4-diethyl-1-phenylpyrrolidine-2,5-dione
SMILESCCC1C(=O)N(c2ccccc2)C(=O)C1CC
InChIInChI=1S/C14H17NO2/c1-3-11-12(4-2)14(17)15(13(11)16)10-8-6-5-7-9-10/h5-9,11-12H,3-4H2,1-2H3
InChIKeyRXMBBRLIOIMLCL-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.61
Rot. Bonds3

About 3,4-diethyl-1-phenylpyrrolidine-2,5-dione

3,4-diethyl-1-phenylpyrrolidine-2,5-dione (PubChem CID 20609571) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 3,4-diethyl-1-phenylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-diethyl-1-phenylpyrrolidine-2,5-dione
PubChem CID20609571
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name3,4-diethyl-1-phenylpyrrolidine-2,5-dione
SMILESCCC1C(=O)N(c2ccccc2)C(=O)C1CC
InChIInChI=1S/C14H17NO2/c1-3-11-12(4-2)14(17)15(13(11)16)10-8-6-5-7-9-10/h5-9,11-12H,3-4H2,1-2H3
InChIKeyRXMBBRLIOIMLCL-UHFFFAOYSA-N
XLogP2.61
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-1-phenylpyrrolidine-2,5-dione?
The IUPAC name of 3,4-diethyl-1-phenylpyrrolidine-2,5-dione (CID 20609571) is 3,4-diethyl-1-phenylpyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-diethyl-1-phenylpyrrolidine-2,5-dione?
The canonical SMILES for 3,4-diethyl-1-phenylpyrrolidine-2,5-dione is CCC1C(=O)N(c2ccccc2)C(=O)C1CC.
What is the InChIKey of 3,4-diethyl-1-phenylpyrrolidine-2,5-dione?
The InChIKey is RXMBBRLIOIMLCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-3-11-12(4-2)14(17)15(13(11)16)10-8-6-5-7-9-10/h5-9,11-12H,3-4H2,1-2H3.
What are the key properties of 3,4-diethyl-1-phenylpyrrolidine-2,5-dione?
3,4-diethyl-1-phenylpyrrolidine-2,5-dione has a molecular weight of 231.30 g/mol, XLogP of 2.61, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-1-phenylpyrrolidine-2,5-dione is sourced from PubChem (CID 20609571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).