3-methyl-3-(2-methylprop-1-enyl)piperazine-2,6-dione

C9H14N2O2 — CID 130597033

IUPAC3-methyl-3-(2-methylprop-1-enyl)piperazine-2,6-dione
SMILESCC(C)=CC1(C)NCC(=O)NC1=O
InChIInChI=1S/C9H14N2O2/c1-6(2)4-9(3)8(13)11-7(12)5-10-9/h4,10H,5H2,1-3H3,(H,11,12,13)
InChIKeyJDYMVUIRONGARI-UHFFFAOYSA-N
MW182.22 g/mol
LogP-0.04
Rot. Bonds1

About 3-methyl-3-(2-methylprop-1-enyl)piperazine-2,6-dione

3-methyl-3-(2-methylprop-1-enyl)piperazine-2,6-dione (PubChem CID 130597033) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is 3-methyl-3-(2-methylprop-1-enyl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-3-(2-methylprop-1-enyl)piperazine-2,6-dione
PubChem CID130597033
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC Name3-methyl-3-(2-methylprop-1-enyl)piperazine-2,6-dione
SMILESCC(C)=CC1(C)NCC(=O)NC1=O
InChIInChI=1S/C9H14N2O2/c1-6(2)4-9(3)8(13)11-7(12)5-10-9/h4,10H,5H2,1-3H3,(H,11,12,13)
InChIKeyJDYMVUIRONGARI-UHFFFAOYSA-N
XLogP-0.04
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3-bis(2-methylprop-1-enyl)pyrrolidine-2,5-dione
CID 70395291
3-(methoxymethyl)-3-methylpiperazine-2,6-dione
CID 130597039
5,5-dimethylpiperazin-2-one
CID 23319655
calcium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride
CID 173338216
potassium;3-ethyl-3-methylpyrrolidine-2,5-dione;hydride
CID 173254266
3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione
CID 130597051
aziridin-2-one
CID 158991665
2-methyl-2,6,9-triazaspiro[4.5]decane-8,10-dione
CID 130597066
4-hydroxy-4-(2-methylprop-1-enyl)cyclohexan-1-one
CID 79189483
acetamide;imidazolidine-2,4-dione
CID 159110028
4,5-dimethyl-5-(2-methylprop-1-enyl)oxolan-2-one
CID 539051
3-methyl-3-sulfanylpyrrolidine-2,5-dione
CID 159261890

Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(2-methylprop-1-enyl)piperazine-2,6-dione?
The IUPAC name of 3-methyl-3-(2-methylprop-1-enyl)piperazine-2,6-dione (CID 130597033) is 3-methyl-3-(2-methylprop-1-enyl)piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-3-(2-methylprop-1-enyl)piperazine-2,6-dione?
The canonical SMILES for 3-methyl-3-(2-methylprop-1-enyl)piperazine-2,6-dione is CC(C)=CC1(C)NCC(=O)NC1=O.
What is the InChIKey of 3-methyl-3-(2-methylprop-1-enyl)piperazine-2,6-dione?
The InChIKey is JDYMVUIRONGARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-6(2)4-9(3)8(13)11-7(12)5-10-9/h4,10H,5H2,1-3H3,(H,11,12,13).
What are the key properties of 3-methyl-3-(2-methylprop-1-enyl)piperazine-2,6-dione?
3-methyl-3-(2-methylprop-1-enyl)piperazine-2,6-dione has a molecular weight of 182.22 g/mol, XLogP of -0.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(2-methylprop-1-enyl)piperazine-2,6-dione is sourced from PubChem (CID 130597033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).