(2,5-dioxopyrrolidin-1-yl) decanoate

C14H23NO4 — CID 12535336

IUPAC(2,5-dioxopyrrolidin-1-yl) decanoate
SMILESCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H23NO4/c1-2-3-4-5-6-7-8-9-14(18)19-15-12(16)10-11-13(15)17/h2-11H2,1H3
InChIKeyZHCGDUYHEXICCS-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.73
Rot. Bonds9

About (2,5-dioxopyrrolidin-1-yl) decanoate

(2,5-dioxopyrrolidin-1-yl) decanoate (PubChem CID 12535336) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) decanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) decanoate
PubChem CID12535336
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Name(2,5-dioxopyrrolidin-1-yl) decanoate
SMILESCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C14H23NO4/c1-2-3-4-5-6-7-8-9-14(18)19-15-12(16)10-11-13(15)17/h2-11H2,1H3
InChIKeyZHCGDUYHEXICCS-UHFFFAOYSA-N
XLogP2.73
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) decanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) decanoate (CID 12535336) is (2,5-dioxopyrrolidin-1-yl) decanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) decanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) decanoate is CCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) decanoate?
The InChIKey is ZHCGDUYHEXICCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-2-3-4-5-6-7-8-9-14(18)19-15-12(16)10-11-13(15)17/h2-11H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) decanoate?
(2,5-dioxopyrrolidin-1-yl) decanoate has a molecular weight of 269.34 g/mol, XLogP of 2.73, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dioxopyrrolidin-1-yl) decanoate is sourced from PubChem (CID 12535336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).