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

C11H16N2O3 — CID 102290198

IUPAC(3Z)-1-acetyl-3-(2,2-dimethylpropylidene)piperazine-2,5-dione
SMILESCC(=O)N1CC(=O)N/C(=C\C(C)(C)C)C1=O
InChIInChI=1S/C11H16N2O3/c1-7(14)13-6-9(15)12-8(10(13)16)5-11(2,3)4/h5H,6H2,1-4H3,(H,12,15)/b8-5-
InChIKeyQKZJIQWHTIPJMO-YVMONPNESA-N
MW224.26 g/mol
LogP0.42
Rot. Bonds

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

(3Z)-1-acetyl-3-(2,2-dimethylpropylidene)piperazine-2,5-dione (PubChem CID 102290198) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is (3Z)-1-acetyl-3-(2,2-dimethylpropylidene)piperazine-2,5-dione.

Molecular Properties

Compound Name(3Z)-1-acetyl-3-(2,2-dimethylpropylidene)piperazine-2,5-dione
PubChem CID102290198
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name(3Z)-1-acetyl-3-(2,2-dimethylpropylidene)piperazine-2,5-dione
SMILESCC(=O)N1CC(=O)N/C(=C\C(C)(C)C)C1=O
InChIInChI=1S/C11H16N2O3/c1-7(14)13-6-9(15)12-8(10(13)16)5-11(2,3)4/h5H,6H2,1-4H3,(H,12,15)/b8-5-
InChIKeyQKZJIQWHTIPJMO-YVMONPNESA-N
XLogP0.42
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.42
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-(2,2-dimethylpropylidene)piperazine-2,5-dione?
The IUPAC name of (3Z)-1-acetyl-3-(2,2-dimethylpropylidene)piperazine-2,5-dione (CID 102290198) is (3Z)-1-acetyl-3-(2,2-dimethylpropylidene)piperazine-2,5-dione.
What is the SMILES notation for (3Z)-1-acetyl-3-(2,2-dimethylpropylidene)piperazine-2,5-dione?
The canonical SMILES for (3Z)-1-acetyl-3-(2,2-dimethylpropylidene)piperazine-2,5-dione is CC(=O)N1CC(=O)N/C(=C\C(C)(C)C)C1=O.
What is the InChIKey of (3Z)-1-acetyl-3-(2,2-dimethylpropylidene)piperazine-2,5-dione?
The InChIKey is QKZJIQWHTIPJMO-YVMONPNESA-N. The full InChI is InChI=1S/C11H16N2O3/c1-7(14)13-6-9(15)12-8(10(13)16)5-11(2,3)4/h5H,6H2,1-4H3,(H,12,15)/b8-5-.
What are the key properties of (3Z)-1-acetyl-3-(2,2-dimethylpropylidene)piperazine-2,5-dione?
(3Z)-1-acetyl-3-(2,2-dimethylpropylidene)piperazine-2,5-dione has a molecular weight of 224.26 g/mol, XLogP of 0.42, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-1-acetyl-3-(2,2-dimethylpropylidene)piperazine-2,5-dione is sourced from PubChem (CID 102290198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).