(2S,3Z)-3-methoxyiminobutan-2-ol

C5H11NO2 — CID 45085121

IUPAC(2S,3Z)-3-methoxyiminobutan-2-ol
SMILESCO/N=C(/C)[C@H](C)O
InChIInChI=1S/C5H11NO2/c1-4(5(2)7)6-8-3/h5,7H,1-3H3/b6-4-/t5-/m0/s1
InChIKeyWPHUYJPJRANCOS-YIWIKUPCSA-N
MW117.15 g/mol
LogP0.39
Rot. Bonds2

About (2S,3Z)-3-methoxyiminobutan-2-ol

(2S,3Z)-3-methoxyiminobutan-2-ol (PubChem CID 45085121) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is (2S,3Z)-3-methoxyiminobutan-2-ol.

Molecular Properties

Compound Name(2S,3Z)-3-methoxyiminobutan-2-ol
PubChem CID45085121
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name(2S,3Z)-3-methoxyiminobutan-2-ol
SMILESCO/N=C(/C)[C@H](C)O
InChIInChI=1S/C5H11NO2/c1-4(5(2)7)6-8-3/h5,7H,1-3H3/b6-4-/t5-/m0/s1
InChIKeyWPHUYJPJRANCOS-YIWIKUPCSA-N
XLogP0.39
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.15
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (2S,3Z)-3-methoxyiminobutan-2-ol?
The IUPAC name of (2S,3Z)-3-methoxyiminobutan-2-ol (CID 45085121) is (2S,3Z)-3-methoxyiminobutan-2-ol.
What is the SMILES notation for (2S,3Z)-3-methoxyiminobutan-2-ol?
The canonical SMILES for (2S,3Z)-3-methoxyiminobutan-2-ol is CO/N=C(/C)[C@H](C)O.
What is the InChIKey of (2S,3Z)-3-methoxyiminobutan-2-ol?
The InChIKey is WPHUYJPJRANCOS-YIWIKUPCSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(5(2)7)6-8-3/h5,7H,1-3H3/b6-4-/t5-/m0/s1.
What are the key properties of (2S,3Z)-3-methoxyiminobutan-2-ol?
(2S,3Z)-3-methoxyiminobutan-2-ol has a molecular weight of 117.15 g/mol, XLogP of 0.39, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3Z)-3-methoxyiminobutan-2-ol is sourced from PubChem (CID 45085121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).