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

C13H18N2O4 — CID 145415981

IUPAC3-methyl-1-[5-methyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione
SMILESCC(=O)CN1C(=O)C(N2C(=O)CC(C)C2=O)CC1C
InChIInChI=1S/C13H18N2O4/c1-7-4-11(17)15(12(7)18)10-5-8(2)14(13(10)19)6-9(3)16/h7-8,10H,4-6H2,1-3H3
InChIKeyYUFKTRZVMOERSM-UHFFFAOYSA-N
MW266.30 g/mol
LogP-0.04
Rot. Bonds3

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

3-methyl-1-[5-methyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione (PubChem CID 145415981) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 3-methyl-1-[5-methyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[5-methyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione
PubChem CID145415981
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name3-methyl-1-[5-methyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione
SMILESCC(=O)CN1C(=O)C(N2C(=O)CC(C)C2=O)CC1C
InChIInChI=1S/C13H18N2O4/c1-7-4-11(17)15(12(7)18)10-5-8(2)14(13(10)19)6-9(3)16/h7-8,10H,4-6H2,1-3H3
InChIKeyYUFKTRZVMOERSM-UHFFFAOYSA-N
XLogP-0.04
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
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

1-[5-ethyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione
CID 121386874
(3R)-3-[(3R)-3-methyl-2,5-dioxopyrrolidin-1-yl]piperidine-2,6-dione
CID 124564806
1-methyl-2-(3-methyl-2,5-dioxopyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 82762601
1-acetyl-3-methylpyrrolidine-2,5-dione;ethane
CID 143333871
3-methyl-1-(4-oxocyclohexyl)pyrrolidine-2,5-dione
CID 79670321
3-methyl-1-[2-[2-(3-oxobutoxy)ethoxy]ethyl]pyrrolidine-2,5-dione
CID 71056162
2-[3-(2,5-dioxoimidazolidin-1-yl)-5-methyl-2-oxopyrrolidin-1-yl]acetaldehyde
CID 145098384
1-(3-aminocyclopentyl)-3-methylpyrrolidine-2,5-dione
CID 130624170
4-methyl-1-(2-oxopropyl)pyrrolidin-2-one
CID 63100384
3-methyl-1-[4-(2-methylbutanoyl)cyclohexyl]pyrrolidine-2,5-dione
CID 176680041
ethane;3-methyl-1-[4-(2-methylbutanoyl)cyclohexyl]pyrrolidine-2,5-dione
CID 176680040
methane;(3-methyl-2,5-dioxopyrrolidin-1-yl) acetate
CID 158098437

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[5-methyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[5-methyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione (CID 145415981) is 3-methyl-1-[5-methyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[5-methyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[5-methyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione is CC(=O)CN1C(=O)C(N2C(=O)CC(C)C2=O)CC1C.
What is the InChIKey of 3-methyl-1-[5-methyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione?
The InChIKey is YUFKTRZVMOERSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-7-4-11(17)15(12(7)18)10-5-8(2)14(13(10)19)6-9(3)16/h7-8,10H,4-6H2,1-3H3.
What are the key properties of 3-methyl-1-[5-methyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione?
3-methyl-1-[5-methyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione has a molecular weight of 266.30 g/mol, XLogP of -0.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[5-methyl-2-oxo-1-(2-oxopropyl)pyrrolidin-3-yl]pyrrolidine-2,5-dione is sourced from PubChem (CID 145415981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).