(2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate

C12H12N2O4 — CID 11334130

IUPAC(2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)ON2C(=O)CCC2=O)c(C)n1
InChIInChI=1S/C12H12N2O4/c1-7-3-4-9(8(2)13-7)12(17)18-14-10(15)5-6-11(14)16/h3-4H,5-6H2,1-2H3
InChIKeyHKZJZNAUAORECQ-UHFFFAOYSA-N
MW248.24 g/mol
LogP0.92
Rot. Bonds2

About (2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate

(2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate (PubChem CID 11334130) has the molecular formula C12H12N2O4 and a molecular weight of 248.24 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate
PubChem CID11334130
Molecular FormulaC12H12N2O4
Molecular Weight248.24 g/mol
Exact Mass248.08
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate
SMILESCc1ccc(C(=O)ON2C(=O)CCC2=O)c(C)n1
InChIInChI=1S/C12H12N2O4/c1-7-3-4-9(8(2)13-7)12(17)18-14-10(15)5-6-11(14)16/h3-4H,5-6H2,1-2H3
InChIKeyHKZJZNAUAORECQ-UHFFFAOYSA-N
XLogP0.92
TPSA76.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate (CID 11334130) is (2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate is Cc1ccc(C(=O)ON2C(=O)CCC2=O)c(C)n1.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate?
The InChIKey is HKZJZNAUAORECQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O4/c1-7-3-4-9(8(2)13-7)12(17)18-14-10(15)5-6-11(14)16/h3-4H,5-6H2,1-2H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate?
(2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate has a molecular weight of 248.24 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) 2,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 11334130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).