3-hydroxyimino-2-methylbutan-1-ol

C5H11NO2 — CID 72502326

IUPAC3-hydroxyimino-2-methylbutan-1-ol
SMILESCC(=NO)C(C)CO
InChIInChI=1S/C5H11NO2/c1-4(3-7)5(2)6-8/h4,7-8H,3H2,1-2H3
InChIKeySCOWMFLABHFAEX-UHFFFAOYSA-N
MW117.15 g/mol
LogP0.46
Rot. Bonds2

About 3-hydroxyimino-2-methylbutan-1-ol

3-hydroxyimino-2-methylbutan-1-ol (PubChem CID 72502326) has the molecular formula C5H11NO2 and a molecular weight of 117.15 g/mol. Its IUPAC name is 3-hydroxyimino-2-methylbutan-1-ol.

Molecular Properties

Compound Name3-hydroxyimino-2-methylbutan-1-ol
PubChem CID72502326
Molecular FormulaC5H11NO2
Molecular Weight117.15 g/mol
Exact Mass117.08
IUPAC Name3-hydroxyimino-2-methylbutan-1-ol
SMILESCC(=NO)C(C)CO
InChIInChI=1S/C5H11NO2/c1-4(3-7)5(2)6-8/h4,7-8H,3H2,1-2H3
InChIKeySCOWMFLABHFAEX-UHFFFAOYSA-N
XLogP0.46
TPSA52.82 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 ≤ 50.46
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 3-hydroxyimino-2-methylbutan-1-ol?
The IUPAC name of 3-hydroxyimino-2-methylbutan-1-ol (CID 72502326) is 3-hydroxyimino-2-methylbutan-1-ol.
What is the SMILES notation for 3-hydroxyimino-2-methylbutan-1-ol?
The canonical SMILES for 3-hydroxyimino-2-methylbutan-1-ol is CC(=NO)C(C)CO.
What is the InChIKey of 3-hydroxyimino-2-methylbutan-1-ol?
The InChIKey is SCOWMFLABHFAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11NO2/c1-4(3-7)5(2)6-8/h4,7-8H,3H2,1-2H3.
What are the key properties of 3-hydroxyimino-2-methylbutan-1-ol?
3-hydroxyimino-2-methylbutan-1-ol has a molecular weight of 117.15 g/mol, XLogP of 0.46, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxyimino-2-methylbutan-1-ol is sourced from PubChem (CID 72502326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).