2-methyl-N-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethyl]prop-2-enamide

C11H17N3O3 — CID 139972941

IUPAC2-methyl-N-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCN1CCN(C)C(=O)C1=O
InChIInChI=1S/C11H17N3O3/c1-8(2)9(15)12-4-5-14-7-6-13(3)10(16)11(14)17/h1,4-7H2,2-3H3,(H,12,15)
InChIKeyTYMFPUGJGLDXKX-UHFFFAOYSA-N
MW239.27 g/mol
LogP-1.02
Rot. Bonds4

About 2-methyl-N-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethyl]prop-2-enamide

2-methyl-N-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethyl]prop-2-enamide (PubChem CID 139972941) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-methyl-N-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethyl]prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethyl]prop-2-enamide
PubChem CID139972941
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-methyl-N-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethyl]prop-2-enamide
SMILESC=C(C)C(=O)NCCN1CCN(C)C(=O)C1=O
InChIInChI=1S/C11H17N3O3/c1-8(2)9(15)12-4-5-14-7-6-13(3)10(16)11(14)17/h1,4-7H2,2-3H3,(H,12,15)
InChIKeyTYMFPUGJGLDXKX-UHFFFAOYSA-N
XLogP-1.02
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 5-1.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[3-[(2-methylprop-2-enoylamino)methyl]-2-oxoimidazolidin-1-yl]methyl]prop-2-enamide
CID 19767348
1-[2-(cyclopropylamino)ethyl]-4-methylpiperazine-2,3-dione
CID 62927219
N-[2-[3-(4-ethyl-2,3-dioxopiperazin-1-yl)-2-hydroxypropoxy]ethyl]-2-methylprop-2-enamide
CID 139972989
1-(4-methyl-2,3-dioxopiperazin-1-yl)propan-2-yl 2-methylprop-2-enoate
CID 139972996
2-methyl-N-[2-(4-oxoimidazolidin-1-yl)ethyl]prop-2-enamide
CID 25143746
2-methyl-N-[(2-oxoimidazolidin-1-yl)methyl]prop-2-enamide
CID 18371133
1-(4-aminobutyl)-4-methylpiperazine-2,3-dione
CID 62927891
5-(4-methyl-2,3-dioxopiperazin-1-yl)pentanehydrazide
CID 55213300
1-methyl-4-[3-(methylamino)butyl]piperazine-2,3-dione
CID 62927722
2-methyl-N-propylprop-2-enamide;hydrochloride
CID 87485783
2-methyl-N-propylprop-2-enamide;hydrobromide
CID 172725706
2-methyl-N-(5-piperazin-1-ylpentyl)prop-2-enamide
CID 18464110

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethyl]prop-2-enamide?
The IUPAC name of 2-methyl-N-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethyl]prop-2-enamide (CID 139972941) is 2-methyl-N-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethyl]prop-2-enamide.
What is the SMILES notation for 2-methyl-N-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethyl]prop-2-enamide?
The canonical SMILES for 2-methyl-N-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethyl]prop-2-enamide is C=C(C)C(=O)NCCN1CCN(C)C(=O)C1=O.
What is the InChIKey of 2-methyl-N-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethyl]prop-2-enamide?
The InChIKey is TYMFPUGJGLDXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-8(2)9(15)12-4-5-14-7-6-13(3)10(16)11(14)17/h1,4-7H2,2-3H3,(H,12,15).
What are the key properties of 2-methyl-N-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethyl]prop-2-enamide?
2-methyl-N-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethyl]prop-2-enamide has a molecular weight of 239.27 g/mol, XLogP of -1.02, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(4-methyl-2,3-dioxopiperazin-1-yl)ethyl]prop-2-enamide is sourced from PubChem (CID 139972941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).