but-1-en-2-yloxy(methyl)diazene

C5H10N2O — CID 163681207

IUPACbut-1-en-2-yloxy(methyl)diazene
SMILESC=C(CC)O/N=N/C
InChIInChI=1S/C5H10N2O/c1-4-5(2)8-7-6-3/h2,4H2,1,3H3/b7-6+
InChIKeyJKZFNGYYPSTWTM-VOTSOKGWSA-N
MW114.15 g/mol
LogP1.92
Rot. Bonds3

About but-1-en-2-yloxy(methyl)diazene

but-1-en-2-yloxy(methyl)diazene (PubChem CID 163681207) has the molecular formula C5H10N2O and a molecular weight of 114.15 g/mol. Its IUPAC name is but-1-en-2-yloxy(methyl)diazene.

Molecular Properties

Compound Namebut-1-en-2-yloxy(methyl)diazene
PubChem CID163681207
Molecular FormulaC5H10N2O
Molecular Weight114.15 g/mol
Exact Mass114.08
IUPAC Namebut-1-en-2-yloxy(methyl)diazene
SMILESC=C(CC)O/N=N/C
InChIInChI=1S/C5H10N2O/c1-4-5(2)8-7-6-3/h2,4H2,1,3H3/b7-6+
InChIKeyJKZFNGYYPSTWTM-VOTSOKGWSA-N
XLogP1.92
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.15
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'acyclic_C=C-O', '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 but-1-en-2-yloxy(methyl)diazene?
The IUPAC name of but-1-en-2-yloxy(methyl)diazene (CID 163681207) is but-1-en-2-yloxy(methyl)diazene.
What is the SMILES notation for but-1-en-2-yloxy(methyl)diazene?
The canonical SMILES for but-1-en-2-yloxy(methyl)diazene is C=C(CC)O/N=N/C.
What is the InChIKey of but-1-en-2-yloxy(methyl)diazene?
The InChIKey is JKZFNGYYPSTWTM-VOTSOKGWSA-N. The full InChI is InChI=1S/C5H10N2O/c1-4-5(2)8-7-6-3/h2,4H2,1,3H3/b7-6+.
What are the key properties of but-1-en-2-yloxy(methyl)diazene?
but-1-en-2-yloxy(methyl)diazene has a molecular weight of 114.15 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for but-1-en-2-yloxy(methyl)diazene is sourced from PubChem (CID 163681207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).