6-(3-methyl-2,5-dioxopyrrol-1-yl)hexaneperoxoic acid

C11H15NO5 — CID 14716646

IUPAC6-(3-methyl-2,5-dioxopyrrol-1-yl)hexaneperoxoic acid
SMILESCC1=CC(=O)N(CCCCCC(=O)OO)C1=O
InChIInChI=1S/C11H15NO5/c1-8-7-9(13)12(11(8)15)6-4-2-3-5-10(14)17-16/h7,16H,2-6H2,1H3
InChIKeyQXSJXUQVTXNRMI-UHFFFAOYSA-N
MW241.24 g/mol
LogP0.88
Rot. Bonds6

About 6-(3-methyl-2,5-dioxopyrrol-1-yl)hexaneperoxoic acid

6-(3-methyl-2,5-dioxopyrrol-1-yl)hexaneperoxoic acid (PubChem CID 14716646) has the molecular formula C11H15NO5 and a molecular weight of 241.24 g/mol. Its IUPAC name is 6-(3-methyl-2,5-dioxopyrrol-1-yl)hexaneperoxoic acid.

Molecular Properties

Compound Name6-(3-methyl-2,5-dioxopyrrol-1-yl)hexaneperoxoic acid
PubChem CID14716646
Molecular FormulaC11H15NO5
Molecular Weight241.24 g/mol
Exact Mass241.10
IUPAC Name6-(3-methyl-2,5-dioxopyrrol-1-yl)hexaneperoxoic acid
SMILESCC1=CC(=O)N(CCCCCC(=O)OO)C1=O
InChIInChI=1S/C11H15NO5/c1-8-7-9(13)12(11(8)15)6-4-2-3-5-10(14)17-16/h7,16H,2-6H2,1H3
InChIKeyQXSJXUQVTXNRMI-UHFFFAOYSA-N
XLogP0.88
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Analyze 6-(3-methyl-2,5-dioxopyrrol-1-yl)hexaneperoxoic acid 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

6-Maleimidohexanoic acid
CID 573683
epsilon-N-citraconylaminocaproate
CID 191265
Fluoro 6-(2,5-dioxopyrrol-1-yl)hexanoate
CID 175311182
1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-3,4-dimethyl-2,5-dioxo-
CID 586721
1H-Pyrrole-1-hexanoic acid, 2,5-dihydro-2,5-dioxo-, methyl ester
CID 11195463
6-(2,5-Dioxopyrrol-1-yl)hexaneperoxoic acid
CID 14716645
2-(3-Methyl-2,5-dioxopyrrol-1-yl)hexanoic acid
CID 22114214
6-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)hexanoate
CID 22184315
6-(2,5-Dioxopyrrol-1-yl)hexanoic acid;hydrochloride
CID 24763401
7-(3-Methyl-2,5-dioxopyrrol-1-yl)heptanoic acid
CID 43167723
11-(3-Methyl-2,5-dioxopyrrol-1-yl)undecanoic acid
CID 54225527
9-(3-Methyl-2,5-dioxopyrrol-1-yl)nonanoic acid
CID 57039645

Frequently Asked Questions

What is the IUPAC name of 6-(3-methyl-2,5-dioxopyrrol-1-yl)hexaneperoxoic acid?
The IUPAC name of 6-(3-methyl-2,5-dioxopyrrol-1-yl)hexaneperoxoic acid (CID 14716646) is 6-(3-methyl-2,5-dioxopyrrol-1-yl)hexaneperoxoic acid.
What is the SMILES notation for 6-(3-methyl-2,5-dioxopyrrol-1-yl)hexaneperoxoic acid?
The canonical SMILES for 6-(3-methyl-2,5-dioxopyrrol-1-yl)hexaneperoxoic acid is CC1=CC(=O)N(CCCCCC(=O)OO)C1=O.
What is the InChIKey of 6-(3-methyl-2,5-dioxopyrrol-1-yl)hexaneperoxoic acid?
The InChIKey is QXSJXUQVTXNRMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5/c1-8-7-9(13)12(11(8)15)6-4-2-3-5-10(14)17-16/h7,16H,2-6H2,1H3.
What are the key properties of 6-(3-methyl-2,5-dioxopyrrol-1-yl)hexaneperoxoic acid?
6-(3-methyl-2,5-dioxopyrrol-1-yl)hexaneperoxoic acid has a molecular weight of 241.24 g/mol, XLogP of 0.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methyl-2,5-dioxopyrrol-1-yl)hexaneperoxoic acid is sourced from PubChem (CID 14716646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).