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

C16H27NO4 — CID 2802515

IUPAC(2,5-dioxopyrrolidin-1-yl) dodecanoate
SMILESCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-10-11-16(20)21-17-14(18)12-13-15(17)19/h2-13H2,1H3
InChIKeyLRKGVVJOUNKTGG-UHFFFAOYSA-N
MW297.40 g/mol
LogP3.51
Rot. Bonds11

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

(2,5-dioxopyrrolidin-1-yl) dodecanoate (PubChem CID 2802515) has the molecular formula C16H27NO4 and a molecular weight of 297.40 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) dodecanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) dodecanoate
PubChem CID2802515
Molecular FormulaC16H27NO4
Molecular Weight297.40 g/mol
Exact Mass297.19
IUPAC Name(2,5-dioxopyrrolidin-1-yl) dodecanoate
SMILESCCCCCCCCCCCC(=O)ON1C(=O)CCC1=O
InChIInChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-10-11-16(20)21-17-14(18)12-13-15(17)19/h2-13H2,1H3
InChIKeyLRKGVVJOUNKTGG-UHFFFAOYSA-N
XLogP3.51
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.40
LogP ≤ 53.51
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) dodecanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) dodecanoate (CID 2802515) is (2,5-dioxopyrrolidin-1-yl) dodecanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) dodecanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) dodecanoate is CCCCCCCCCCCC(=O)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) dodecanoate?
The InChIKey is LRKGVVJOUNKTGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO4/c1-2-3-4-5-6-7-8-9-10-11-16(20)21-17-14(18)12-13-15(17)19/h2-13H2,1H3.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) dodecanoate?
(2,5-dioxopyrrolidin-1-yl) dodecanoate has a molecular weight of 297.40 g/mol, XLogP of 3.51, 11 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) dodecanoate is sourced from PubChem (CID 2802515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).