1-[5-ethyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione

C13H18N2O4 — CID 121386874

IUPAC1-[5-ethyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione
SMILESCCC1CC(N2C(=O)CCC2=O)C(=O)N1CC(C)=O
InChIInChI=1S/C13H18N2O4/c1-3-9-6-10(13(19)14(9)7-8(2)16)15-11(17)4-5-12(15)18/h9-10H,3-7H2,1-2H3
InChIKeyLANYDMQMXOKPSM-UHFFFAOYSA-N
MW266.30 g/mol
LogP0.10
Rot. Bonds4

About 1-[5-ethyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione

1-[5-ethyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione (PubChem CID 121386874) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-[5-ethyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[5-ethyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione
PubChem CID121386874
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name1-[5-ethyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione
SMILESCCC1CC(N2C(=O)CCC2=O)C(=O)N1CC(C)=O
InChIInChI=1S/C13H18N2O4/c1-3-9-6-10(13(19)14(9)7-8(2)16)15-11(17)4-5-12(15)18/h9-10H,3-7H2,1-2H3
InChIKeyLANYDMQMXOKPSM-UHFFFAOYSA-N
XLogP0.10
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 50.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-[5-ethyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione?
The IUPAC name of 1-[5-ethyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione (CID 121386874) is 1-[5-ethyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 1-[5-ethyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 1-[5-ethyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione is CCC1CC(N2C(=O)CCC2=O)C(=O)N1CC(C)=O.
What is the InChIKey of 1-[5-ethyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione?
The InChIKey is LANYDMQMXOKPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-3-9-6-10(13(19)14(9)7-8(2)16)15-11(17)4-5-12(15)18/h9-10H,3-7H2,1-2H3.
What are the key properties of 1-[5-ethyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione?
1-[5-ethyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione has a molecular weight of 266.30 g/mol, XLogP of 0.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-ethyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 121386874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).