6-(2,5-dioxopyrrol-1-yl)hexanoylimino-iminoazanium

C10H13N4O3+ — CID 143141021

IUPAC6-(2,5-dioxopyrrol-1-yl)hexanoylimino-iminoazanium
SMILESN=[N+]=NC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13N4O3/c11-13-12-8(15)4-2-1-3-7-14-9(16)5-6-10(14)17/h5-6,11H,1-4,7H2/q+1
InChIKeyIYFOWKIAPRNMJP-UHFFFAOYSA-N
MW237.24 g/mol
LogP0.55
Rot. Bonds6

About 6-(2,5-dioxopyrrol-1-yl)hexanoylimino-iminoazanium

6-(2,5-dioxopyrrol-1-yl)hexanoylimino-iminoazanium (PubChem CID 143141021) has the molecular formula C10H13N4O3+ and a molecular weight of 237.24 g/mol. Its IUPAC name is 6-(2,5-dioxopyrrol-1-yl)hexanoylimino-iminoazanium.

Molecular Properties

Compound Name6-(2,5-dioxopyrrol-1-yl)hexanoylimino-iminoazanium
PubChem CID143141021
Molecular FormulaC10H13N4O3+
Molecular Weight237.24 g/mol
Exact Mass237.10
IUPAC Name6-(2,5-dioxopyrrol-1-yl)hexanoylimino-iminoazanium
SMILESN=[N+]=NC(=O)CCCCCN1C(=O)C=CC1=O
InChIInChI=1S/C10H13N4O3/c11-13-12-8(15)4-2-1-3-7-14-9(16)5-6-10(14)17/h5-6,11H,1-4,7H2/q+1
InChIKeyIYFOWKIAPRNMJP-UHFFFAOYSA-N
XLogP0.55
TPSA104.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.24
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

Analyze 6-(2,5-dioxopyrrol-1-yl)hexanoylimino-iminoazanium with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanoylimino-iminoazanium?
The IUPAC name of 6-(2,5-dioxopyrrol-1-yl)hexanoylimino-iminoazanium (CID 143141021) is 6-(2,5-dioxopyrrol-1-yl)hexanoylimino-iminoazanium.
What is the SMILES notation for 6-(2,5-dioxopyrrol-1-yl)hexanoylimino-iminoazanium?
The canonical SMILES for 6-(2,5-dioxopyrrol-1-yl)hexanoylimino-iminoazanium is N=[N+]=NC(=O)CCCCCN1C(=O)C=CC1=O.
What is the InChIKey of 6-(2,5-dioxopyrrol-1-yl)hexanoylimino-iminoazanium?
The InChIKey is IYFOWKIAPRNMJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N4O3/c11-13-12-8(15)4-2-1-3-7-14-9(16)5-6-10(14)17/h5-6,11H,1-4,7H2/q+1.
What are the key properties of 6-(2,5-dioxopyrrol-1-yl)hexanoylimino-iminoazanium?
6-(2,5-dioxopyrrol-1-yl)hexanoylimino-iminoazanium has a molecular weight of 237.24 g/mol, XLogP of 0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dioxopyrrol-1-yl)hexanoylimino-iminoazanium is sourced from PubChem (CID 143141021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).