(3Z)-1-acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione

C11H13FN2O3 — CID 171479083

IUPAC(3Z)-1-acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione
SMILESCC(=O)N1CC(=O)N/C(=C\C2CC(F)C2)C1=O
InChIInChI=1S/C11H13FN2O3/c1-6(15)14-5-10(16)13-9(11(14)17)4-7-2-8(12)3-7/h4,7-8H,2-3,5H2,1H3,(H,13,16)/b9-4-
InChIKeyGYSRRPVRJOEEBP-WTKPLQERSA-N
MW240.23 g/mol
LogP0.12
Rot. Bonds1

About (3Z)-1-acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione

(3Z)-1-acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione (PubChem CID 171479083) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is (3Z)-1-acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z)-1-acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione
PubChem CID171479083
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name(3Z)-1-acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione
SMILESCC(=O)N1CC(=O)N/C(=C\C2CC(F)C2)C1=O
InChIInChI=1S/C11H13FN2O3/c1-6(15)14-5-10(16)13-9(11(14)17)4-7-2-8(12)3-7/h4,7-8H,2-3,5H2,1H3,(H,13,16)/b9-4-
InChIKeyGYSRRPVRJOEEBP-WTKPLQERSA-N
XLogP0.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (3Z)-1-acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione with MolForge

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Related Compounds

Lansai E
CID 146682899
1,4-Diacetyl-3-[(3,3-difluorocyclobutyl)methylidene]piperazine-2,5-dione
CID 171479091
1-Acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione
CID 175565481
(3Z)-1-acetyl-3-(2-methylpropylidene)piperazine-2,5-dione
CID 15914219
(3Z)-1-acetyl-3-(2,2-dimethylpropylidene)piperazine-2,5-dione
CID 102290198
(3Z)-3-(2-methylpropylidene)piperazine-2,5-dione
CID 12402449
CID 45099838
CID 45099838
3-Pentylidenepiperazine-2,5-dione
CID 53405957
(6Z)-1-acetyl-6-pentylidenepiperazine-2,5-dione
CID 169246554
1-Acetyl-6-pentylidenepiperazine-2,5-dione
CID 174143411
(3E)-3-(2-methylpropylidene)-2,5-piperazinedione
CID 12402450
2,5-Piperazinedione,1-methyl-6-(2-methylpropylidene)-,(E)-(9CI)
CID 13858915

Frequently Asked Questions

What is the IUPAC name of (3Z)-1-acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione?
The IUPAC name of (3Z)-1-acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione (CID 171479083) is (3Z)-1-acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione.
What is the SMILES notation for (3Z)-1-acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione?
The canonical SMILES for (3Z)-1-acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione is CC(=O)N1CC(=O)N/C(=C\C2CC(F)C2)C1=O.
What is the InChIKey of (3Z)-1-acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione?
The InChIKey is GYSRRPVRJOEEBP-WTKPLQERSA-N. The full InChI is InChI=1S/C11H13FN2O3/c1-6(15)14-5-10(16)13-9(11(14)17)4-7-2-8(12)3-7/h4,7-8H,2-3,5H2,1H3,(H,13,16)/b9-4-.
What are the key properties of (3Z)-1-acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione?
(3Z)-1-acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione has a molecular weight of 240.23 g/mol, XLogP of 0.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-acetyl-3-[(3-fluorocyclobutyl)methylidene]piperazine-2,5-dione is sourced from PubChem (CID 171479083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).