1-aminooxy-3-methylbut-2-en-2-ol

C5H11NO2 — CID 23286428

IUPAC1-aminooxy-3-methylbut-2-en-2-ol
SMILESCC(C)=C(O)CON
InChIInChI=1S/C5H11NO2/c1-4(2)5(7)3-8-6/h7H,3,6H2,1-2H3
InChIKeyAQRSFXDKOVEAOW-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.73
Rot. Bonds2

About 1-aminooxy-3-methylbut-2-en-2-ol

1-aminooxy-3-methylbut-2-en-2-ol (PubChem CID 23286428) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 1-aminooxy-3-methylbut-2-en-2-ol.

Molecular Properties

Compound Name1-aminooxy-3-methylbut-2-en-2-ol
PubChem CID23286428
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name1-aminooxy-3-methylbut-2-en-2-ol
SMILESCC(C)=C(O)CON
InChIInChI=1S/C5H11NO2/c1-4(2)5(7)3-8-6/h7H,3,6H2,1-2H3
InChIKeyAQRSFXDKOVEAOW-UHFFFAOYSA-N
XLogP0.73
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-aminooxypropan-2-one
CID 20700160
1-aminooxypropan-2-one;1-aminopropan-2-one
CID 158191453
(2-hydroxy-3-methylbut-2-enyl) benzoate
CID 162371830
O-ethylhydroxylamine;propan-2-ol
CID 174873596
2-aminooxy-N-sulfanylacetamide
CID 129060609
2-aminooxyacetic acid;chloromethane;2-ethoxyacetic acid
CID 158293749
1-aminooxy-3-ethoxypropan-2-one
CID 163799340
potassium 2-aminooxyacetate
CID 167313621
bis(2-acetyloxyacetic acid);palladium
CID 156697217
azane;carbonic acid;ethyl acetate
CID 175094152
acetic acid;azane;ethyl acetate
CID 25050725
acetic acid;ethyl acetate;hydroiodide
CID 174390773

Frequently Asked Questions

What is the IUPAC name of 1-aminooxy-3-methylbut-2-en-2-ol?
The IUPAC name of 1-aminooxy-3-methylbut-2-en-2-ol (CID 23286428) is 1-aminooxy-3-methylbut-2-en-2-ol.
What is the SMILES notation for 1-aminooxy-3-methylbut-2-en-2-ol?
The canonical SMILES for 1-aminooxy-3-methylbut-2-en-2-ol is CC(C)=C(O)CON.
What is the InChIKey of 1-aminooxy-3-methylbut-2-en-2-ol?
The InChIKey is AQRSFXDKOVEAOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(2)5(7)3-8-6/h7H,3,6H2,1-2H3.
What are the key properties of 1-aminooxy-3-methylbut-2-en-2-ol?
1-aminooxy-3-methylbut-2-en-2-ol has a molecular weight of 117.15 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooxy-3-methylbut-2-en-2-ol is sourced from PubChem (CID 23286428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).