3,4-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione

C13H18N2O4 — CID 79181005

IUPAC3,4-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCC1C(=O)N(CC(=O)N2CCC(=O)CC2)C(=O)C1C
InChIInChI=1S/C13H18N2O4/c1-8-9(2)13(19)15(12(8)18)7-11(17)14-5-3-10(16)4-6-14/h8-9H,3-7H2,1-2H3
InChIKeyFOVYXTLEMKARRK-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.18
Rot. Bonds2

About 3,4-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione

3,4-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 79181005) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3,4-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,4-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID79181005
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3,4-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCC1C(=O)N(CC(=O)N2CCC(=O)CC2)C(=O)C1C
InChIInChI=1S/C13H18N2O4/c1-8-9(2)13(19)15(12(8)18)7-11(17)14-5-3-10(16)4-6-14/h8-9H,3-7H2,1-2H3
InChIKeyFOVYXTLEMKARRK-UHFFFAOYSA-N
XLogP-0.18
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 5-0.18
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 3,4-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,4-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione (CID 79181005) is 3,4-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,4-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,4-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione is CC1C(=O)N(CC(=O)N2CCC(=O)CC2)C(=O)C1C.
What is the InChIKey of 3,4-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is FOVYXTLEMKARRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-9(2)13(19)15(12(8)18)7-11(17)14-5-3-10(16)4-6-14/h8-9H,3-7H2,1-2H3.
What are the key properties of 3,4-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
3,4-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione has a molecular weight of 266.30 g/mol, XLogP of -0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 79181005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).