3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione

C9H14N2O3 — CID 130597051

IUPAC3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione
SMILESCC1(C2CCOC2)NCC(=O)NC1=O
InChIInChI=1S/C9H14N2O3/c1-9(6-2-3-14-5-6)8(13)11-7(12)4-10-9/h6,10H,2-5H2,1H3,(H,11,12,13)
InChIKeyNUBNCFOLVSFACJ-UHFFFAOYSA-N
MW198.22 g/mol
LogP-0.97
Rot. Bonds1

About 3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione

3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione (PubChem CID 130597051) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione
PubChem CID130597051
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione
SMILESCC1(C2CCOC2)NCC(=O)NC1=O
InChIInChI=1S/C9H14N2O3/c1-9(6-2-3-14-5-6)8(13)11-7(12)4-10-9/h6,10H,2-5H2,1H3,(H,11,12,13)
InChIKeyNUBNCFOLVSFACJ-UHFFFAOYSA-N
XLogP-0.97
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 5-0.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione?
The IUPAC name of 3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione (CID 130597051) is 3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione?
The canonical SMILES for 3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione is CC1(C2CCOC2)NCC(=O)NC1=O.
What is the InChIKey of 3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione?
The InChIKey is NUBNCFOLVSFACJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-9(6-2-3-14-5-6)8(13)11-7(12)4-10-9/h6,10H,2-5H2,1H3,(H,11,12,13).
What are the key properties of 3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione?
3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione has a molecular weight of 198.22 g/mol, XLogP of -0.97, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(oxolan-3-yl)piperazine-2,6-dione is sourced from PubChem (CID 130597051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).