3-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione

C11H12N2O4 — CID 66063481

IUPAC3-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione
SMILESCc1ccc(C(=O)N2CC(=O)NC(=O)C2C)o1
InChIInChI=1S/C11H12N2O4/c1-6-3-4-8(17-6)11(16)13-5-9(14)12-10(15)7(13)2/h3-4,7H,5H2,1-2H3,(H,12,14,15)
InChIKeyCTXNOKATHRLEBM-UHFFFAOYSA-N
MW236.23 g/mol
LogP0.08
Rot. Bonds1

About 3-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione

3-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione (PubChem CID 66063481) has the molecular formula C11H12N2O4 and a molecular weight of 236.23 g/mol. Its IUPAC name is 3-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione
PubChem CID66063481
Molecular FormulaC11H12N2O4
Molecular Weight236.23 g/mol
Exact Mass236.08
IUPAC Name3-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione
SMILESCc1ccc(C(=O)N2CC(=O)NC(=O)C2C)o1
InChIInChI=1S/C11H12N2O4/c1-6-3-4-8(17-6)11(16)13-5-9(14)12-10(15)7(13)2/h3-4,7H,5H2,1-2H3,(H,12,14,15)
InChIKeyCTXNOKATHRLEBM-UHFFFAOYSA-N
XLogP0.08
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.23
LogP ≤ 50.08
H-Bond Donors ≤ 51
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-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione?
The IUPAC name of 3-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione (CID 66063481) is 3-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione?
The canonical SMILES for 3-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione is Cc1ccc(C(=O)N2CC(=O)NC(=O)C2C)o1.
What is the InChIKey of 3-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione?
The InChIKey is CTXNOKATHRLEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4/c1-6-3-4-8(17-6)11(16)13-5-9(14)12-10(15)7(13)2/h3-4,7H,5H2,1-2H3,(H,12,14,15).
What are the key properties of 3-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione?
3-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione has a molecular weight of 236.23 g/mol, XLogP of 0.08, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(5-methylfuran-2-carbonyl)piperazine-2,6-dione is sourced from PubChem (CID 66063481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).