4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione

C13H16N2O4 — CID 66073806

IUPAC4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCCc1ccc(C(=O)N2CC(=O)NC(=O)C2(C)C)o1
InChIInChI=1S/C13H16N2O4/c1-4-8-5-6-9(19-8)11(17)15-7-10(16)14-12(18)13(15,2)3/h5-6H,4,7H2,1-3H3,(H,14,16,18)
InChIKeyAEEDDPNOTDILDK-UHFFFAOYSA-N
MW264.28 g/mol
LogP0.72
Rot. Bonds2

About 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione

4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66073806) has the molecular formula C13H16N2O4 and a molecular weight of 264.28 g/mol. Its IUPAC name is 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID66073806
Molecular FormulaC13H16N2O4
Molecular Weight264.28 g/mol
Exact Mass264.11
IUPAC Name4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCCc1ccc(C(=O)N2CC(=O)NC(=O)C2(C)C)o1
InChIInChI=1S/C13H16N2O4/c1-4-8-5-6-9(19-8)11(17)15-7-10(16)14-12(18)13(15,2)3/h5-6H,4,7H2,1-3H3,(H,14,16,18)
InChIKeyAEEDDPNOTDILDK-UHFFFAOYSA-N
XLogP0.72
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 50.72
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 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione (CID 66073806) is 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione is CCc1ccc(C(=O)N2CC(=O)NC(=O)C2(C)C)o1.
What is the InChIKey of 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is AEEDDPNOTDILDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4/c1-4-8-5-6-9(19-8)11(17)15-7-10(16)14-12(18)13(15,2)3/h5-6H,4,7H2,1-3H3,(H,14,16,18).
What are the key properties of 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 264.28 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66073806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).