2-(methoxydiazenyl)-2-methylpropanal

C5H10N2O2 — CID 20655825

IUPAC2-(methoxydiazenyl)-2-methylpropanal
SMILESCO/N=N/C(C)(C)C=O
InChIInChI=1S/C5H10N2O2/c1-5(2,4-8)6-7-9-3/h4H,1-3H3/b7-6+
InChIKeyAMYKRICPRQGNFL-VOTSOKGWSA-N
MW130.15 g/mol
LogP0.98
Rot. Bonds3

About 2-(methoxydiazenyl)-2-methylpropanal

2-(methoxydiazenyl)-2-methylpropanal (PubChem CID 20655825) has the molecular formula C5H10N2O2 and a molecular weight of 130.15 g/mol. Its IUPAC name is 2-(methoxydiazenyl)-2-methylpropanal.

Molecular Properties

Compound Name2-(methoxydiazenyl)-2-methylpropanal
PubChem CID20655825
Molecular FormulaC5H10N2O2
Molecular Weight130.15 g/mol
Exact Mass130.07
IUPAC Name2-(methoxydiazenyl)-2-methylpropanal
SMILESCO/N=N/C(C)(C)C=O
InChIInChI=1S/C5H10N2O2/c1-5(2,4-8)6-7-9-3/h4H,1-3H3/b7-6+
InChIKeyAMYKRICPRQGNFL-VOTSOKGWSA-N
XLogP0.98
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.15
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxydiazenyl)-2-methylpropanal?
The IUPAC name of 2-(methoxydiazenyl)-2-methylpropanal (CID 20655825) is 2-(methoxydiazenyl)-2-methylpropanal.
What is the SMILES notation for 2-(methoxydiazenyl)-2-methylpropanal?
The canonical SMILES for 2-(methoxydiazenyl)-2-methylpropanal is CO/N=N/C(C)(C)C=O.
What is the InChIKey of 2-(methoxydiazenyl)-2-methylpropanal?
The InChIKey is AMYKRICPRQGNFL-VOTSOKGWSA-N. The full InChI is InChI=1S/C5H10N2O2/c1-5(2,4-8)6-7-9-3/h4H,1-3H3/b7-6+.
What are the key properties of 2-(methoxydiazenyl)-2-methylpropanal?
2-(methoxydiazenyl)-2-methylpropanal has a molecular weight of 130.15 g/mol, XLogP of 0.98, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxydiazenyl)-2-methylpropanal is sourced from PubChem (CID 20655825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).