ethyl 2,4-dioxopiperidine-3-carboxylate

C8H11NO4 — CID 10419886

IUPACethyl 2,4-dioxopiperidine-3-carboxylate
SMILESCCOC(=O)C1C(=O)CCNC1=O
InChIInChI=1S/C8H11NO4/c1-2-13-8(12)6-5(10)3-4-9-7(6)11/h6H,2-4H2,1H3,(H,9,11)
InChIKeyUUNOKJKWVQAVGU-UHFFFAOYSA-N
MW185.18 g/mol
LogP-0.75
Rot. Bonds2

About ethyl 2,4-dioxopiperidine-3-carboxylate

ethyl 2,4-dioxopiperidine-3-carboxylate (PubChem CID 10419886) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is ethyl 2,4-dioxopiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-dioxopiperidine-3-carboxylate
PubChem CID10419886
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Nameethyl 2,4-dioxopiperidine-3-carboxylate
SMILESCCOC(=O)C1C(=O)CCNC1=O
InChIInChI=1S/C8H11NO4/c1-2-13-8(12)6-5(10)3-4-9-7(6)11/h6H,2-4H2,1H3,(H,9,11)
InChIKeyUUNOKJKWVQAVGU-UHFFFAOYSA-N
XLogP-0.75
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-dioxopiperidine-3-carboxylate?
The IUPAC name of ethyl 2,4-dioxopiperidine-3-carboxylate (CID 10419886) is ethyl 2,4-dioxopiperidine-3-carboxylate.
What is the SMILES notation for ethyl 2,4-dioxopiperidine-3-carboxylate?
The canonical SMILES for ethyl 2,4-dioxopiperidine-3-carboxylate is CCOC(=O)C1C(=O)CCNC1=O.
What is the InChIKey of ethyl 2,4-dioxopiperidine-3-carboxylate?
The InChIKey is UUNOKJKWVQAVGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-2-13-8(12)6-5(10)3-4-9-7(6)11/h6H,2-4H2,1H3,(H,9,11).
What are the key properties of ethyl 2,4-dioxopiperidine-3-carboxylate?
ethyl 2,4-dioxopiperidine-3-carboxylate has a molecular weight of 185.18 g/mol, XLogP of -0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-dioxopiperidine-3-carboxylate is sourced from PubChem (CID 10419886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).