(3-diazo-2-oxopropyl)-methoxyimino-oxidoazanium

C4H6N4O3 — CID 74024516

IUPAC(3-diazo-2-oxopropyl)-methoxyimino-oxidoazanium
SMILESCON=[N+]([O-])CC(=O)C=[N+]=[N-]
InChIInChI=1S/C4H6N4O3/c1-11-7-8(10)3-4(9)2-6-5/h2H,3H2,1H3
InChIKeyLLFQAIQRJMUFIN-UHFFFAOYSA-N
MW158.12 g/mol
LogP-0.62
Rot. Bonds4

About (3-diazo-2-oxopropyl)-methoxyimino-oxidoazanium

(3-diazo-2-oxopropyl)-methoxyimino-oxidoazanium (PubChem CID 74024516) has the molecular formula C4H6N4O3 and a molecular weight of 158.12 g/mol. Its IUPAC name is (3-diazo-2-oxopropyl)-methoxyimino-oxidoazanium.

Molecular Properties

Compound Name(3-diazo-2-oxopropyl)-methoxyimino-oxidoazanium
PubChem CID74024516
Molecular FormulaC4H6N4O3
Molecular Weight158.12 g/mol
Exact Mass158.04
IUPAC Name(3-diazo-2-oxopropyl)-methoxyimino-oxidoazanium
SMILESCON=[N+]([O-])CC(=O)C=[N+]=[N-]
InChIInChI=1S/C4H6N4O3/c1-11-7-8(10)3-4(9)2-6-5/h2H,3H2,1H3
InChIKeyLLFQAIQRJMUFIN-UHFFFAOYSA-N
XLogP-0.62
TPSA101.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.12
LogP ≤ 5-0.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze (3-diazo-2-oxopropyl)-methoxyimino-oxidoazanium 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 (3-diazo-2-oxopropyl)-methoxyimino-oxidoazanium?
The IUPAC name of (3-diazo-2-oxopropyl)-methoxyimino-oxidoazanium (CID 74024516) is (3-diazo-2-oxopropyl)-methoxyimino-oxidoazanium.
What is the SMILES notation for (3-diazo-2-oxopropyl)-methoxyimino-oxidoazanium?
The canonical SMILES for (3-diazo-2-oxopropyl)-methoxyimino-oxidoazanium is CON=[N+]([O-])CC(=O)C=[N+]=[N-].
What is the InChIKey of (3-diazo-2-oxopropyl)-methoxyimino-oxidoazanium?
The InChIKey is LLFQAIQRJMUFIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O3/c1-11-7-8(10)3-4(9)2-6-5/h2H,3H2,1H3.
What are the key properties of (3-diazo-2-oxopropyl)-methoxyimino-oxidoazanium?
(3-diazo-2-oxopropyl)-methoxyimino-oxidoazanium has a molecular weight of 158.12 g/mol, XLogP of -0.62, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-diazo-2-oxopropyl)-methoxyimino-oxidoazanium is sourced from PubChem (CID 74024516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).