1-(2-but-3-enoxyethyl)-6-methylpiperazine-2,5-dione

C11H18N2O3 — CID 106409891

IUPAC1-(2-but-3-enoxyethyl)-6-methylpiperazine-2,5-dione
SMILESC=CCCOCCN1C(=O)CNC(=O)C1C
InChIInChI=1S/C11H18N2O3/c1-3-4-6-16-7-5-13-9(2)11(15)12-8-10(13)14/h3,9H,1,4-8H2,2H3,(H,12,15)
InChIKeyPLKXXKNDTIEAKW-UHFFFAOYSA-N
MW226.28 g/mol
LogP-0.07
Rot. Bonds6

About 1-(2-but-3-enoxyethyl)-6-methylpiperazine-2,5-dione

1-(2-but-3-enoxyethyl)-6-methylpiperazine-2,5-dione (PubChem CID 106409891) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-(2-but-3-enoxyethyl)-6-methylpiperazine-2,5-dione.

Molecular Properties

Compound Name1-(2-but-3-enoxyethyl)-6-methylpiperazine-2,5-dione
PubChem CID106409891
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name1-(2-but-3-enoxyethyl)-6-methylpiperazine-2,5-dione
SMILESC=CCCOCCN1C(=O)CNC(=O)C1C
InChIInChI=1S/C11H18N2O3/c1-3-4-6-16-7-5-13-9(2)11(15)12-8-10(13)14/h3,9H,1,4-8H2,2H3,(H,12,15)
InChIKeyPLKXXKNDTIEAKW-UHFFFAOYSA-N
XLogP-0.07
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-but-3-enoxyethyl)-6-methylpiperazine-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 1-(2-but-3-enoxyethyl)-6-methylpiperazine-2,5-dione?
The IUPAC name of 1-(2-but-3-enoxyethyl)-6-methylpiperazine-2,5-dione (CID 106409891) is 1-(2-but-3-enoxyethyl)-6-methylpiperazine-2,5-dione.
What is the SMILES notation for 1-(2-but-3-enoxyethyl)-6-methylpiperazine-2,5-dione?
The canonical SMILES for 1-(2-but-3-enoxyethyl)-6-methylpiperazine-2,5-dione is C=CCCOCCN1C(=O)CNC(=O)C1C.
What is the InChIKey of 1-(2-but-3-enoxyethyl)-6-methylpiperazine-2,5-dione?
The InChIKey is PLKXXKNDTIEAKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-4-6-16-7-5-13-9(2)11(15)12-8-10(13)14/h3,9H,1,4-8H2,2H3,(H,12,15).
What are the key properties of 1-(2-but-3-enoxyethyl)-6-methylpiperazine-2,5-dione?
1-(2-but-3-enoxyethyl)-6-methylpiperazine-2,5-dione has a molecular weight of 226.28 g/mol, XLogP of -0.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-but-3-enoxyethyl)-6-methylpiperazine-2,5-dione is sourced from PubChem (CID 106409891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).