2-hydroxyiminobutan-1-ol

C4H9NO2 — CID 130121992

IUPAC2-hydroxyiminobutan-1-ol
SMILESCCC(CO)=NO
InChIInChI=1S/C4H9NO2/c1-2-4(3-6)5-7/h6-7H,2-3H2,1H3
InChIKeyKPKGFLHNCQYFOZ-UHFFFAOYSA-N
MW103.12 g/mol
LogP0.22
Rot. Bonds2

About 2-hydroxyiminobutan-1-ol

2-hydroxyiminobutan-1-ol (PubChem CID 130121992) has the molecular formula C4H9NO2 and a molecular weight of 103.12 g/mol. Its IUPAC name is 2-hydroxyiminobutan-1-ol.

Molecular Properties

Compound Name2-hydroxyiminobutan-1-ol
PubChem CID130121992
Molecular FormulaC4H9NO2
Molecular Weight103.12 g/mol
Exact Mass103.06
IUPAC Name2-hydroxyiminobutan-1-ol
SMILESCCC(CO)=NO
InChIInChI=1S/C4H9NO2/c1-2-4(3-6)5-7/h6-7H,2-3H2,1H3
InChIKeyKPKGFLHNCQYFOZ-UHFFFAOYSA-N
XLogP0.22
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500103.12
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_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 2-hydroxyiminobutan-1-ol?
The IUPAC name of 2-hydroxyiminobutan-1-ol (CID 130121992) is 2-hydroxyiminobutan-1-ol.
What is the SMILES notation for 2-hydroxyiminobutan-1-ol?
The canonical SMILES for 2-hydroxyiminobutan-1-ol is CCC(CO)=NO.
What is the InChIKey of 2-hydroxyiminobutan-1-ol?
The InChIKey is KPKGFLHNCQYFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9NO2/c1-2-4(3-6)5-7/h6-7H,2-3H2,1H3.
What are the key properties of 2-hydroxyiminobutan-1-ol?
2-hydroxyiminobutan-1-ol has a molecular weight of 103.12 g/mol, XLogP of 0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyiminobutan-1-ol is sourced from PubChem (CID 130121992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).