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

C11H11ClN2O4 — CID 66074370

IUPAC4-(5-chlorofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)c1ccc(Cl)o1
InChIInChI=1S/C11H11ClN2O4/c1-11(2)10(17)13-8(15)5-14(11)9(16)6-3-4-7(12)18-6/h3-4H,5H2,1-2H3,(H,13,15,17)
InChIKeyOGNWOCMETSGQDT-UHFFFAOYSA-N
MW270.67 g/mol
LogP0.81
Rot. Bonds1

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

4-(5-chlorofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione (PubChem CID 66074370) has the molecular formula C11H11ClN2O4 and a molecular weight of 270.67 g/mol. Its IUPAC name is 4-(5-chlorofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(5-chlorofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
PubChem CID66074370
Molecular FormulaC11H11ClN2O4
Molecular Weight270.67 g/mol
Exact Mass270.04
IUPAC Name4-(5-chlorofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
SMILESCC1(C)C(=O)NC(=O)CN1C(=O)c1ccc(Cl)o1
InChIInChI=1S/C11H11ClN2O4/c1-11(2)10(17)13-8(15)5-14(11)9(16)6-3-4-7(12)18-6/h3-4H,5H2,1-2H3,(H,13,15,17)
InChIKeyOGNWOCMETSGQDT-UHFFFAOYSA-N
XLogP0.81
TPSA79.62 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.67
LogP ≤ 50.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(5-ethylfuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66073806
4-(4-bromo-2-chlorobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 66075932
4-[2-(4-bromophenyl)acetyl]-3,3-dimethylpiperazine-2,6-dione
CID 66074596
4-(3-chloro-5-methylbenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 81324047
4-(5-bromothiophene-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione
CID 66074207
4-(4-amino-3,5-dichlorobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 82813797
4-(3-chloro-4-iodobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 103209286
4-(3-amino-2-chlorobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 115930586
4-(5-bromo-2-fluorobenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 66074554
3,3-dimethyl-4-(5-methylpyrazine-2-carbonyl)piperazine-2,6-dione
CID 66073832
4-(2-chloro-5-methylsulfanylbenzoyl)-3,3-dimethylpiperazine-2,6-dione
CID 66075177
3,3-dimethyl-4-(6-oxo-1H-pyridine-3-carbonyl)piperazine-2,6-dione
CID 66076495

Frequently Asked Questions

What is the IUPAC name of 4-(5-chlorofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The IUPAC name of 4-(5-chlorofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione (CID 66074370) is 4-(5-chlorofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione.
What is the SMILES notation for 4-(5-chlorofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The canonical SMILES for 4-(5-chlorofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione is CC1(C)C(=O)NC(=O)CN1C(=O)c1ccc(Cl)o1.
What is the InChIKey of 4-(5-chlorofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
The InChIKey is OGNWOCMETSGQDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11ClN2O4/c1-11(2)10(17)13-8(15)5-14(11)9(16)6-3-4-7(12)18-6/h3-4H,5H2,1-2H3,(H,13,15,17).
What are the key properties of 4-(5-chlorofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione?
4-(5-chlorofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione has a molecular weight of 270.67 g/mol, XLogP of 0.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chlorofuran-2-carbonyl)-3,3-dimethylpiperazine-2,6-dione is sourced from PubChem (CID 66074370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).