3-(3,5-dimethyl-2-oxoimidazol-1-yl)piperidine-2,6-dione

C10H13N3O3 — CID 138496402

IUPAC3-(3,5-dimethyl-2-oxoimidazol-1-yl)piperidine-2,6-dione
SMILESCc1cn(C)c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C10H13N3O3/c1-6-5-12(2)10(16)13(6)7-3-4-8(14)11-9(7)15/h5,7H,3-4H2,1-2H3,(H,11,14,15)
InChIKeyORMCYGKAOKVTBM-UHFFFAOYSA-N
MW223.23 g/mol
LogP-0.53
Rot. Bonds1

About 3-(3,5-dimethyl-2-oxoimidazol-1-yl)piperidine-2,6-dione

3-(3,5-dimethyl-2-oxoimidazol-1-yl)piperidine-2,6-dione (PubChem CID 138496402) has the molecular formula C10H13N3O3 and a molecular weight of 223.23 g/mol. Its IUPAC name is 3-(3,5-dimethyl-2-oxoimidazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(3,5-dimethyl-2-oxoimidazol-1-yl)piperidine-2,6-dione
PubChem CID138496402
Molecular FormulaC10H13N3O3
Molecular Weight223.23 g/mol
Exact Mass223.10
IUPAC Name3-(3,5-dimethyl-2-oxoimidazol-1-yl)piperidine-2,6-dione
SMILESCc1cn(C)c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C10H13N3O3/c1-6-5-12(2)10(16)13(6)7-3-4-8(14)11-9(7)15/h5,7H,3-4H2,1-2H3,(H,11,14,15)
InChIKeyORMCYGKAOKVTBM-UHFFFAOYSA-N
XLogP-0.53
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 5-0.53
H-Bond Donors ≤ 51
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 3-(3,5-dimethyl-2-oxoimidazol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(3,5-dimethyl-2-oxoimidazol-1-yl)piperidine-2,6-dione (CID 138496402) is 3-(3,5-dimethyl-2-oxoimidazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(3,5-dimethyl-2-oxoimidazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(3,5-dimethyl-2-oxoimidazol-1-yl)piperidine-2,6-dione is Cc1cn(C)c(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(3,5-dimethyl-2-oxoimidazol-1-yl)piperidine-2,6-dione?
The InChIKey is ORMCYGKAOKVTBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O3/c1-6-5-12(2)10(16)13(6)7-3-4-8(14)11-9(7)15/h5,7H,3-4H2,1-2H3,(H,11,14,15).
What are the key properties of 3-(3,5-dimethyl-2-oxoimidazol-1-yl)piperidine-2,6-dione?
3-(3,5-dimethyl-2-oxoimidazol-1-yl)piperidine-2,6-dione has a molecular weight of 223.23 g/mol, XLogP of -0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-2-oxoimidazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 138496402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).