ethyl 2,3-dioxopiperazine-1-carboxylate

C7H10N2O4 — CID 130136555

IUPACethyl 2,3-dioxopiperazine-1-carboxylate
SMILESCCOC(=O)N1CCNC(=O)C1=O
InChIInChI=1S/C7H10N2O4/c1-2-13-7(12)9-4-3-8-5(10)6(9)11/h2-4H2,1H3,(H,8,10)
InChIKeyDLFNLZSBFFJMDX-UHFFFAOYSA-N
MW186.17 g/mol
LogP-0.90
Rot. Bonds1

About ethyl 2,3-dioxopiperazine-1-carboxylate

ethyl 2,3-dioxopiperazine-1-carboxylate (PubChem CID 130136555) has the molecular formula C7H10N2O4 and a molecular weight of 186.17 g/mol. Its IUPAC name is ethyl 2,3-dioxopiperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,3-dioxopiperazine-1-carboxylate
PubChem CID130136555
Molecular FormulaC7H10N2O4
Molecular Weight186.17 g/mol
Exact Mass186.06
IUPAC Nameethyl 2,3-dioxopiperazine-1-carboxylate
SMILESCCOC(=O)N1CCNC(=O)C1=O
InChIInChI=1S/C7H10N2O4/c1-2-13-7(12)9-4-3-8-5(10)6(9)11/h2-4H2,1H3,(H,8,10)
InChIKeyDLFNLZSBFFJMDX-UHFFFAOYSA-N
XLogP-0.90
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 5-0.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,3-dioxopiperazine-1-carboxylate?
The IUPAC name of ethyl 2,3-dioxopiperazine-1-carboxylate (CID 130136555) is ethyl 2,3-dioxopiperazine-1-carboxylate.
What is the SMILES notation for ethyl 2,3-dioxopiperazine-1-carboxylate?
The canonical SMILES for ethyl 2,3-dioxopiperazine-1-carboxylate is CCOC(=O)N1CCNC(=O)C1=O.
What is the InChIKey of ethyl 2,3-dioxopiperazine-1-carboxylate?
The InChIKey is DLFNLZSBFFJMDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O4/c1-2-13-7(12)9-4-3-8-5(10)6(9)11/h2-4H2,1H3,(H,8,10).
What are the key properties of ethyl 2,3-dioxopiperazine-1-carboxylate?
ethyl 2,3-dioxopiperazine-1-carboxylate has a molecular weight of 186.17 g/mol, XLogP of -0.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,3-dioxopiperazine-1-carboxylate is sourced from PubChem (CID 130136555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).