6-(2,5-dioxopyrrol-1-yl)hexanoyloxidanium

C10H14NO4+ — CID 153224784

IUPAC6-(2,5-dioxopyrrol-1-yl)hexanoyloxidanium
SMILESO=C([OH2+])CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO4/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15/h5-6H,1-4,7H2,(H,14,15)/p+1
InChIKeyWOJKKJKETHYEAC-UHFFFAOYSA-O
MW212.22 g/mol
LogP-0.28
Rot. Bonds6

About 6-(2,5-dioxopyrrol-1-yl)hexanoyloxidanium

6-(2,5-dioxopyrrol-1-yl)hexanoyloxidanium (PubChem CID 153224784) has the molecular formula C10H14NO4+ and a molecular weight of 212.22 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)hexanoyloxidanium.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)hexanoyloxidanium
PubChem CID153224784
Molecular FormulaC10H14NO4+
Molecular Weight212.22 g/mol
Exact Mass212.09
IUPAC Name6-(2,5-dioxopyrrol-1-yl)hexanoyloxidanium
SMILESO=C([OH2+])CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13NO4/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15/h5-6H,1-4,7H2,(H,14,15)/p+1
InChIKeyWOJKKJKETHYEAC-UHFFFAOYSA-O
XLogP-0.28
TPSA77.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.22
LogP ≤ 5-0.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanoyloxidanium?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanoyloxidanium (CID 153224784) is 6-(2,5-dioxopyrrol-1-yl)hexanoyloxidanium.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)hexanoyloxidanium?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)hexanoyloxidanium is O=C([OH2+])CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)hexanoyloxidanium?
The InChIKey is WOJKKJKETHYEAC-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H13NO4/c12-8-5-6-9(13)11(8)7-3-1-2-4-10(14)15/h5-6H,1-4,7H2,(H,14,15)/p+1.
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)hexanoyloxidanium?
6-(2,5-dioxopyrrol-1-yl)hexanoyloxidanium has a molecular weight of 212.22 g/mol, XLogP of -0.28, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)hexanoyloxidanium is sourced from PubChem (CID 153224784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).