(3Z)-1-acetyl-3-(2-methylpropylidene)piperazine-2,5-dione

C10H14N2O3 — CID 15914219

IUPAC(3Z)-1-acetyl-3-(2-methylpropylidene)piperazine-2,5-dione
SMILESCC(=O)N1CC(=O)N/C(=C\C(C)C)C1=O
InChIInChI=1S/C10H14N2O3/c1-6(2)4-8-10(15)12(7(3)13)5-9(14)11-8/h4,6H,5H2,1-3H3,(H,11,14)/b8-4-
InChIKeySGPSWHBRDLBSIW-YWEYNIOJSA-N
MW210.23 g/mol
LogP0.03
Rot. Bonds1

About (3Z)-1-acetyl-3-(2-methylpropylidene)piperazine-2,5-dione

(3Z)-1-acetyl-3-(2-methylpropylidene)piperazine-2,5-dione (PubChem CID 15914219) has the molecular formula C10H14N2O3 and a molecular weight of 210.23 g/mol. Its IUPAC name is (3Z)-1-acetyl-3-(2-methylpropylidene)piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z)-1-acetyl-3-(2-methylpropylidene)piperazine-2,5-dione
PubChem CID15914219
Molecular FormulaC10H14N2O3
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC Name(3Z)-1-acetyl-3-(2-methylpropylidene)piperazine-2,5-dione
SMILESCC(=O)N1CC(=O)N/C(=C\C(C)C)C1=O
InChIInChI=1S/C10H14N2O3/c1-6(2)4-8-10(15)12(7(3)13)5-9(14)11-8/h4,6H,5H2,1-3H3,(H,11,14)/b8-4-
InChIKeySGPSWHBRDLBSIW-YWEYNIOJSA-N
XLogP0.03
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z)-1-acetyl-3-(2-methylpropylidene)piperazine-2,5-dione?
The IUPAC name of (3Z)-1-acetyl-3-(2-methylpropylidene)piperazine-2,5-dione (CID 15914219) is (3Z)-1-acetyl-3-(2-methylpropylidene)piperazine-2,5-dione.
What is the SMILES notation for (3Z)-1-acetyl-3-(2-methylpropylidene)piperazine-2,5-dione?
The canonical SMILES for (3Z)-1-acetyl-3-(2-methylpropylidene)piperazine-2,5-dione is CC(=O)N1CC(=O)N/C(=C\C(C)C)C1=O.
What is the InChIKey of (3Z)-1-acetyl-3-(2-methylpropylidene)piperazine-2,5-dione?
The InChIKey is SGPSWHBRDLBSIW-YWEYNIOJSA-N. The full InChI is InChI=1S/C10H14N2O3/c1-6(2)4-8-10(15)12(7(3)13)5-9(14)11-8/h4,6H,5H2,1-3H3,(H,11,14)/b8-4-.
What are the key properties of (3Z)-1-acetyl-3-(2-methylpropylidene)piperazine-2,5-dione?
(3Z)-1-acetyl-3-(2-methylpropylidene)piperazine-2,5-dione has a molecular weight of 210.23 g/mol, XLogP of 0.03, 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-(2-methylpropylidene)piperazine-2,5-dione is sourced from PubChem (CID 15914219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).