3-(4-methyl-2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione

C9H11N3O3 — CID 138466937

IUPAC3-(4-methyl-2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione
SMILESCc1c[nH]c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C9H11N3O3/c1-5-4-10-9(15)12(5)6-2-3-7(13)11-8(6)14/h4,6H,2-3H2,1H3,(H,10,15)(H,11,13,14)
InChIKeyVLILDUCRCLYPRB-UHFFFAOYSA-N
MW209.20 g/mol
LogP-0.54
Rot. Bonds1

About 3-(4-methyl-2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione

3-(4-methyl-2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione (PubChem CID 138466937) has the molecular formula C9H11N3O3 and a molecular weight of 209.20 g/mol. Its IUPAC name is 3-(4-methyl-2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(4-methyl-2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione
PubChem CID138466937
Molecular FormulaC9H11N3O3
Molecular Weight209.20 g/mol
Exact Mass209.08
IUPAC Name3-(4-methyl-2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione
SMILESCc1c[nH]c(=O)n1C1CCC(=O)NC1=O
InChIInChI=1S/C9H11N3O3/c1-5-4-10-9(15)12(5)6-2-3-7(13)11-8(6)14/h4,6H,2-3H2,1H3,(H,10,15)(H,11,13,14)
InChIKeyVLILDUCRCLYPRB-UHFFFAOYSA-N
XLogP-0.54
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.20
LogP ≤ 5-0.54
H-Bond Donors ≤ 52
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 3-(4-methyl-2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione?
The IUPAC name of 3-(4-methyl-2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione (CID 138466937) is 3-(4-methyl-2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(4-methyl-2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(4-methyl-2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione is Cc1c[nH]c(=O)n1C1CCC(=O)NC1=O.
What is the InChIKey of 3-(4-methyl-2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione?
The InChIKey is VLILDUCRCLYPRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O3/c1-5-4-10-9(15)12(5)6-2-3-7(13)11-8(6)14/h4,6H,2-3H2,1H3,(H,10,15)(H,11,13,14).
What are the key properties of 3-(4-methyl-2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione?
3-(4-methyl-2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione has a molecular weight of 209.20 g/mol, XLogP of -0.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-2-oxo-1H-imidazol-3-yl)piperidine-2,6-dione is sourced from PubChem (CID 138466937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).