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

C13H18N2O4 — CID 65301917

IUPAC3,3-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CC(=O)N2CCC(=O)CC2)C1=O
InChIInChI=1S/C13H18N2O4/c1-13(2)7-10(17)15(12(13)19)8-11(18)14-5-3-9(16)4-6-14/h3-8H2,1-2H3
InChIKeyBKWMGRDRBOPBBZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.04
Rot. Bonds2

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

3,3-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione (PubChem CID 65301917) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3,3-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3,3-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
PubChem CID65301917
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3,3-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
SMILESCC1(C)CC(=O)N(CC(=O)N2CCC(=O)CC2)C1=O
InChIInChI=1S/C13H18N2O4/c1-13(2)7-10(17)15(12(13)19)8-11(18)14-5-3-9(16)4-6-14/h3-8H2,1-2H3
InChIKeyBKWMGRDRBOPBBZ-UHFFFAOYSA-N
XLogP-0.04
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 ≤ 5-0.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione
CID 65301965
3,4-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione
CID 79181005
4-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]morpholine-3,5-dione
CID 62024384
3,3-dimethyl-1-(2-oxopentyl)pyrrolidine-2,5-dione
CID 65301676
1-[2-(2,2,6,6-tetramethylmorpholin-4-yl)acetyl]piperidin-4-one
CID 102744721
2-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114513680
3,3-dimethyl-1-[2-(1-methylpyrrol-3-yl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 65301281
1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]piperidin-2-one
CID 62024110
3,3-dimethyl-1-[2-(4-methylsulfanylphenyl)-2-oxoethyl]pyrrolidine-2,5-dione
CID 65301818
3,3-dimethyl-1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]piperazine-2,6-dione
CID 66068271
3-methyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-3-carboxamide
CID 114082270
1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 65298071

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The IUPAC name of 3,3-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione (CID 65301917) is 3,3-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3,3-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The canonical SMILES for 3,3-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione is CC1(C)CC(=O)N(CC(=O)N2CCC(=O)CC2)C1=O.
What is the InChIKey of 3,3-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
The InChIKey is BKWMGRDRBOPBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-13(2)7-10(17)15(12(13)19)8-11(18)14-5-3-9(16)4-6-14/h3-8H2,1-2H3.
What are the key properties of 3,3-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione?
3,3-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 -0.04, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-[2-oxo-2-(4-oxopiperidin-1-yl)ethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 65301917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).