(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate

C15H24BrNO4 — CID 131750156

IUPAC(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
SMILESO=C(CCCCCCCCCCBr)ON1C(=O)CCC1=O
InChIInChI=1S/C15H24BrNO4/c16-12-8-6-4-2-1-3-5-7-9-15(20)21-17-13(18)10-11-14(17)19/h1-12H2
InChIKeyRQMVHFRIRKSDGS-UHFFFAOYSA-N
MW362.26 g/mol
LogP3.50
Rot. Bonds11

About (2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate

(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate (PubChem CID 131750156) has the molecular formula C15H24BrNO4 and a molecular weight of 362.26 g/mol. Its IUPAC name is (2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate.

Molecular Properties

Compound Name(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
PubChem CID131750156
Molecular FormulaC15H24BrNO4
Molecular Weight362.26 g/mol
Exact Mass361.09
IUPAC Name(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate
SMILESO=C(CCCCCCCCCCBr)ON1C(=O)CCC1=O
InChIInChI=1S/C15H24BrNO4/c16-12-8-6-4-2-1-3-5-7-9-15(20)21-17-13(18)10-11-14(17)19/h1-12H2
InChIKeyRQMVHFRIRKSDGS-UHFFFAOYSA-N
XLogP3.50
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

15-O-(2,5-dioxopyrrolidin-1-yl) 1-O-methyl pentadecanedioate
CID 133054379
23-(2,5-dioxopyrrolidin-1-yl)oxy-23-oxotricosanoic acid
CID 155487576
(2,5-dioxopyrrolidin-1-yl) 9-amino-9-oxononanoate
CID 142436920
(2,5-dioxopyrrolidin-1-yl) pentadecanoate
CID 13377057
(2,5-dioxopyrrolidin-1-yl) 6-oxoheptanoate;ethane
CID 156842096
(2,5-dioxopyrrolidin-1-yl) 8-oxononanoate
CID 88976208
(2,5-dioxopyrrolidin-1-yl) 6-bromo-5-oxohexanoate
CID 149046633
(2,5-dioxopyrrolidin-1-yl) 5-aminopentanoate
CID 129055925
(2,5-dioxopyrrolidin-1-yl) 4-iodobutanoate
CID 86194285
(2,5-dioxopyrrolidin-1-yl) 7-methoxyheptanoate
CID 90394451
bis(2,5-dioxopyrrolidin-1-yl) 4,7-dioxodecanedioate
CID 87362127
10-O-(2,5-dioxopyrrolidin-1-yl) 1-O-(2-hydroxyethyl) decanedioate
CID 174881111

Frequently Asked Questions

What is the IUPAC name of (2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate?
The IUPAC name of (2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate (CID 131750156) is (2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate.
What is the SMILES notation for (2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate?
The canonical SMILES for (2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate is O=C(CCCCCCCCCCBr)ON1C(=O)CCC1=O.
What is the InChIKey of (2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate?
The InChIKey is RQMVHFRIRKSDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO4/c16-12-8-6-4-2-1-3-5-7-9-15(20)21-17-13(18)10-11-14(17)19/h1-12H2.
What are the key properties of (2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate?
(2,5-dioxopyrrolidin-1-yl) 11-bromoundecanoate has a molecular weight of 362.26 g/mol, XLogP of 3.50, 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) 11-bromoundecanoate is sourced from PubChem (CID 131750156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).