prop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate

C10H14N2O4 — CID 66069309

IUPACprop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate
SMILESC=CCOC(=O)N1CC(=O)NC(=O)C1CC
InChIInChI=1S/C10H14N2O4/c1-3-5-16-10(15)12-6-8(13)11-9(14)7(12)4-2/h3,7H,1,4-6H2,2H3,(H,11,13,14)
InChIKeySYBBWXNRQFTQLI-UHFFFAOYSA-N
MW226.23 g/mol
LogP0.05
Rot. Bonds3

About prop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate

prop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate (PubChem CID 66069309) has the molecular formula C10H14N2O4 and a molecular weight of 226.23 g/mol. Its IUPAC name is prop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate.

Molecular Properties

Compound Nameprop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate
PubChem CID66069309
Molecular FormulaC10H14N2O4
Molecular Weight226.23 g/mol
Exact Mass226.10
IUPAC Nameprop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate
SMILESC=CCOC(=O)N1CC(=O)NC(=O)C1CC
InChIInChI=1S/C10H14N2O4/c1-3-5-16-10(15)12-6-8(13)11-9(14)7(12)4-2/h3,7H,1,4-6H2,2H3,(H,11,13,14)
InChIKeySYBBWXNRQFTQLI-UHFFFAOYSA-N
XLogP0.05
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(2-aminoacetyl)-3-ethylpiperazine-2,6-dione
CID 66069530
4-(2-ethyl-3,5-dioxopiperazin-1-yl)-4-oxobutanoic acid
CID 66067143
4-[2-(1-aminocyclobutyl)acetyl]-3-ethylpiperazine-2,6-dione
CID 79854148
4-(2-chloroacetyl)-3-ethylpiperazine-2,6-dione
CID 66068113
4-[(2S)-2-amino-3-methylbutanoyl]-3-ethylpiperazine-2,6-dione
CID 79026797
3-(2-ethyl-3,5-dioxopiperazin-1-yl)-3-oxopropanethioamide
CID 66069349
4-(2,3-dimethylbutanoyl)-3-ethylpiperazine-2,6-dione
CID 66069304
2-ethyl-3,5-dioxo-N-propylpiperazine-1-carboxamide
CID 66068741
4-[(2S)-2-amino-3,3-dimethylbutanoyl]-3-ethylpiperazine-2,6-dione
CID 66069151
4-[(2R)-2-amino-4-methylpentanoyl]-3-ethylpiperazine-2,6-dione
CID 104903657
3-ethyl-4-[(2S)-oxolane-2-carbonyl]piperazine-2,6-dione
CID 113462493
3-ethyl-4-(3-piperidin-2-ylpropanoyl)piperazine-2,6-dione
CID 66068190

Frequently Asked Questions

What is the IUPAC name of prop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate?
The IUPAC name of prop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate (CID 66069309) is prop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate.
What is the SMILES notation for prop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate?
The canonical SMILES for prop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate is C=CCOC(=O)N1CC(=O)NC(=O)C1CC.
What is the InChIKey of prop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate?
The InChIKey is SYBBWXNRQFTQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O4/c1-3-5-16-10(15)12-6-8(13)11-9(14)7(12)4-2/h3,7H,1,4-6H2,2H3,(H,11,13,14).
What are the key properties of prop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate?
prop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate has a molecular weight of 226.23 g/mol, XLogP of 0.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl 2-ethyl-3,5-dioxopiperazine-1-carboxylate is sourced from PubChem (CID 66069309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).