(3S,6Z)-3-methyl-6-(3-methylbutylidene)piperazine-2,5-dione

C10H16N2O2 — CID 134892480

IUPAC(3S,6Z)-3-methyl-6-(3-methylbutylidene)piperazine-2,5-dione
SMILESCC(C)C/C=C1\NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C10H16N2O2/c1-6(2)4-5-8-10(14)11-7(3)9(13)12-8/h5-7H,4H2,1-3H3,(H,11,14)(H,12,13)/b8-5-/t7-/m0/s1
InChIKeyRBPFEJYYXSEWQK-BJMRUTCWSA-N
MW196.25 g/mol
LogP0.55
Rot. Bonds2

About (3S,6Z)-3-methyl-6-(3-methylbutylidene)piperazine-2,5-dione

(3S,6Z)-3-methyl-6-(3-methylbutylidene)piperazine-2,5-dione (PubChem CID 134892480) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is (3S,6Z)-3-methyl-6-(3-methylbutylidene)piperazine-2,5-dione.

Molecular Properties

Compound Name(3S,6Z)-3-methyl-6-(3-methylbutylidene)piperazine-2,5-dione
PubChem CID134892480
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name(3S,6Z)-3-methyl-6-(3-methylbutylidene)piperazine-2,5-dione
SMILESCC(C)C/C=C1\NC(=O)[C@H](C)NC1=O
InChIInChI=1S/C10H16N2O2/c1-6(2)4-5-8-10(14)11-7(3)9(13)12-8/h5-7H,4H2,1-3H3,(H,11,14)(H,12,13)/b8-5-/t7-/m0/s1
InChIKeyRBPFEJYYXSEWQK-BJMRUTCWSA-N
XLogP0.55
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,6Z)-3-methyl-6-(3-methylbutylidene)piperazine-2,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,6Z)-3-methyl-6-(3-methylbutylidene)piperazine-2,5-dione?
The IUPAC name of (3S,6Z)-3-methyl-6-(3-methylbutylidene)piperazine-2,5-dione (CID 134892480) is (3S,6Z)-3-methyl-6-(3-methylbutylidene)piperazine-2,5-dione.
What is the SMILES notation for (3S,6Z)-3-methyl-6-(3-methylbutylidene)piperazine-2,5-dione?
The canonical SMILES for (3S,6Z)-3-methyl-6-(3-methylbutylidene)piperazine-2,5-dione is CC(C)C/C=C1\NC(=O)[C@H](C)NC1=O.
What is the InChIKey of (3S,6Z)-3-methyl-6-(3-methylbutylidene)piperazine-2,5-dione?
The InChIKey is RBPFEJYYXSEWQK-BJMRUTCWSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(2)4-5-8-10(14)11-7(3)9(13)12-8/h5-7H,4H2,1-3H3,(H,11,14)(H,12,13)/b8-5-/t7-/m0/s1.
What are the key properties of (3S,6Z)-3-methyl-6-(3-methylbutylidene)piperazine-2,5-dione?
(3S,6Z)-3-methyl-6-(3-methylbutylidene)piperazine-2,5-dione has a molecular weight of 196.25 g/mol, XLogP of 0.55, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6Z)-3-methyl-6-(3-methylbutylidene)piperazine-2,5-dione is sourced from PubChem (CID 134892480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).