3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione

C11H18N2O3 — CID 103137992

IUPAC3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione
SMILESCC1CCC(CN2C(=O)CNC(C)C2=O)O1
InChIInChI=1S/C11H18N2O3/c1-7-3-4-9(16-7)6-13-10(14)5-12-8(2)11(13)15/h7-9,12H,3-6H2,1-2H3
InChIKeyDRPLAGQWVYYZFZ-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.10
Rot. Bonds2

About 3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione

3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione (PubChem CID 103137992) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione.

Molecular Properties

Compound Name3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione
PubChem CID103137992
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione
SMILESCC1CCC(CN2C(=O)CNC(C)C2=O)O1
InChIInChI=1S/C11H18N2O3/c1-7-3-4-9(16-7)6-13-10(14)5-12-8(2)11(13)15/h7-9,12H,3-6H2,1-2H3
InChIKeyDRPLAGQWVYYZFZ-UHFFFAOYSA-N
XLogP-0.10
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.10
H-Bond Donors ≤ 51
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-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione?
The IUPAC name of 3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione (CID 103137992) is 3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione.
What is the SMILES notation for 3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione?
The canonical SMILES for 3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione is CC1CCC(CN2C(=O)CNC(C)C2=O)O1.
What is the InChIKey of 3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione?
The InChIKey is DRPLAGQWVYYZFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-7-3-4-9(16-7)6-13-10(14)5-12-8(2)11(13)15/h7-9,12H,3-6H2,1-2H3.
What are the key properties of 3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione?
3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione has a molecular weight of 226.28 g/mol, XLogP of -0.10, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[(5-methyloxolan-2-yl)methyl]piperazine-2,6-dione is sourced from PubChem (CID 103137992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).