1-(2,4-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione

C16H16N2O4 — CID 3053145

IUPAC1-(2,4-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(N3C(=O)CCC3=O)C2=O)c(C)c1
InChIInChI=1S/C16H16N2O4/c1-9-3-4-11(10(2)7-9)18-15(21)8-12(16(18)22)17-13(19)5-6-14(17)20/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyNNZGVNJGDYDGSD-UHFFFAOYSA-N
MW300.31 g/mol
LogP1.08
Rot. Bonds2

About 1-(2,4-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione

1-(2,4-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione (PubChem CID 3053145) has the molecular formula C16H16N2O4 and a molecular weight of 300.31 g/mol. Its IUPAC name is 1-(2,4-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(2,4-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione
PubChem CID3053145
Molecular FormulaC16H16N2O4
Molecular Weight300.31 g/mol
Exact Mass300.11
IUPAC Name1-(2,4-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione
SMILESCc1ccc(N2C(=O)CC(N3C(=O)CCC3=O)C2=O)c(C)c1
InChIInChI=1S/C16H16N2O4/c1-9-3-4-11(10(2)7-9)18-15(21)8-12(16(18)22)17-13(19)5-6-14(17)20/h3-4,7,12H,5-6,8H2,1-2H3
InChIKeyNNZGVNJGDYDGSD-UHFFFAOYSA-N
XLogP1.08
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 51.08
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-(2,4-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of 1-(2,4-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione (CID 3053145) is 1-(2,4-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for 1-(2,4-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for 1-(2,4-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione is Cc1ccc(N2C(=O)CC(N3C(=O)CCC3=O)C2=O)c(C)c1.
What is the InChIKey of 1-(2,4-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione?
The InChIKey is NNZGVNJGDYDGSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O4/c1-9-3-4-11(10(2)7-9)18-15(21)8-12(16(18)22)17-13(19)5-6-14(17)20/h3-4,7,12H,5-6,8H2,1-2H3.
What are the key properties of 1-(2,4-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione?
1-(2,4-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione has a molecular weight of 300.31 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dimethylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 3053145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).