ethyl 2,5-dioxopiperidine-1-carboxylate

C8H11NO4 — CID 59656581

IUPACethyl 2,5-dioxopiperidine-1-carboxylate
SMILESCCOC(=O)N1CC(=O)CCC1=O
InChIInChI=1S/C8H11NO4/c1-2-13-8(12)9-5-6(10)3-4-7(9)11/h2-5H2,1H3
InChIKeySJKLFQOALYFUEH-UHFFFAOYSA-N
MW185.18 g/mol
LogP0.33
Rot. Bonds1

About ethyl 2,5-dioxopiperidine-1-carboxylate

ethyl 2,5-dioxopiperidine-1-carboxylate (PubChem CID 59656581) has the molecular formula C8H11NO4 and a molecular weight of 185.18 g/mol. Its IUPAC name is ethyl 2,5-dioxopiperidine-1-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-dioxopiperidine-1-carboxylate
PubChem CID59656581
Molecular FormulaC8H11NO4
Molecular Weight185.18 g/mol
Exact Mass185.07
IUPAC Nameethyl 2,5-dioxopiperidine-1-carboxylate
SMILESCCOC(=O)N1CC(=O)CCC1=O
InChIInChI=1S/C8H11NO4/c1-2-13-8(12)9-5-6(10)3-4-7(9)11/h2-5H2,1H3
InChIKeySJKLFQOALYFUEH-UHFFFAOYSA-N
XLogP0.33
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 50.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-dioxopiperidine-1-carboxylate?
The IUPAC name of ethyl 2,5-dioxopiperidine-1-carboxylate (CID 59656581) is ethyl 2,5-dioxopiperidine-1-carboxylate.
What is the SMILES notation for ethyl 2,5-dioxopiperidine-1-carboxylate?
The canonical SMILES for ethyl 2,5-dioxopiperidine-1-carboxylate is CCOC(=O)N1CC(=O)CCC1=O.
What is the InChIKey of ethyl 2,5-dioxopiperidine-1-carboxylate?
The InChIKey is SJKLFQOALYFUEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NO4/c1-2-13-8(12)9-5-6(10)3-4-7(9)11/h2-5H2,1H3.
What are the key properties of ethyl 2,5-dioxopiperidine-1-carboxylate?
ethyl 2,5-dioxopiperidine-1-carboxylate has a molecular weight of 185.18 g/mol, XLogP of 0.33, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-dioxopiperidine-1-carboxylate is sourced from PubChem (CID 59656581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).