diazenyl 3-diazenyl-2-methylprop-2-enoate

C4H6N4O2 — CID 91240647

IUPACdiazenyl 3-diazenyl-2-methylprop-2-enoate
SMILES[H]/N=N/C=C(C)C(=O)O/N=N/[H]
InChIInChI=1S/C4H6N4O2/c1-3(2-7-5)4(9)10-8-6/h2,5-6H,1H3/b3-2?,7-5+,8-6+
InChIKeyWPHPSJZQYDPXRX-OBMXKTCTSA-N
MW142.12 g/mol
LogP1.41
Rot. Bonds3

About diazenyl 3-diazenyl-2-methylprop-2-enoate

diazenyl 3-diazenyl-2-methylprop-2-enoate (PubChem CID 91240647) has the molecular formula C4H6N4O2 and a molecular weight of 142.12 g/mol. Its IUPAC name is diazenyl 3-diazenyl-2-methylprop-2-enoate.

Molecular Properties

Compound Namediazenyl 3-diazenyl-2-methylprop-2-enoate
PubChem CID91240647
Molecular FormulaC4H6N4O2
Molecular Weight142.12 g/mol
Exact Mass142.05
IUPAC Namediazenyl 3-diazenyl-2-methylprop-2-enoate
SMILES[H]/N=N/C=C(C)C(=O)O/N=N/[H]
InChIInChI=1S/C4H6N4O2/c1-3(2-7-5)4(9)10-8-6/h2,5-6H,1H3/b3-2?,7-5+,8-6+
InChIKeyWPHPSJZQYDPXRX-OBMXKTCTSA-N
XLogP1.41
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.12
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze diazenyl 3-diazenyl-2-methylprop-2-enoate 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 diazenyl 3-diazenyl-2-methylprop-2-enoate?
The IUPAC name of diazenyl 3-diazenyl-2-methylprop-2-enoate (CID 91240647) is diazenyl 3-diazenyl-2-methylprop-2-enoate.
What is the SMILES notation for diazenyl 3-diazenyl-2-methylprop-2-enoate?
The canonical SMILES for diazenyl 3-diazenyl-2-methylprop-2-enoate is [H]/N=N/C=C(C)C(=O)O/N=N/[H].
What is the InChIKey of diazenyl 3-diazenyl-2-methylprop-2-enoate?
The InChIKey is WPHPSJZQYDPXRX-OBMXKTCTSA-N. The full InChI is InChI=1S/C4H6N4O2/c1-3(2-7-5)4(9)10-8-6/h2,5-6H,1H3/b3-2?,7-5+,8-6+.
What are the key properties of diazenyl 3-diazenyl-2-methylprop-2-enoate?
diazenyl 3-diazenyl-2-methylprop-2-enoate has a molecular weight of 142.12 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for diazenyl 3-diazenyl-2-methylprop-2-enoate is sourced from PubChem (CID 91240647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).