2,3-bis(hydroxyimino)butan-1-ol

C4H8N2O3 — CID 137241957

IUPAC2,3-bis(hydroxyimino)butan-1-ol
SMILESCC(=NO)C(CO)=NO
InChIInChI=1S/C4H8N2O3/c1-3(5-8)4(2-7)6-9/h7-9H,2H2,1H3
InChIKeyXFBSOABOCYKHPY-UHFFFAOYSA-N
MW132.12 g/mol
LogP-0.34
Rot. Bonds2

About 2,3-bis(hydroxyimino)butan-1-ol

2,3-bis(hydroxyimino)butan-1-ol (PubChem CID 137241957) has the molecular formula C4H8N2O3 and a molecular weight of 132.12 g/mol. Its IUPAC name is 2,3-bis(hydroxyimino)butan-1-ol.

Molecular Properties

Compound Name2,3-bis(hydroxyimino)butan-1-ol
PubChem CID137241957
Molecular FormulaC4H8N2O3
Molecular Weight132.12 g/mol
Exact Mass132.05
IUPAC Name2,3-bis(hydroxyimino)butan-1-ol
SMILESCC(=NO)C(CO)=NO
InChIInChI=1S/C4H8N2O3/c1-3(5-8)4(2-7)6-9/h7-9H,2H2,1H3
InChIKeyXFBSOABOCYKHPY-UHFFFAOYSA-N
XLogP-0.34
TPSA85.41 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.12
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2,3-bis(hydroxyimino)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,3-bis(hydroxyimino)butan-1-ol?
The IUPAC name of 2,3-bis(hydroxyimino)butan-1-ol (CID 137241957) is 2,3-bis(hydroxyimino)butan-1-ol.
What is the SMILES notation for 2,3-bis(hydroxyimino)butan-1-ol?
The canonical SMILES for 2,3-bis(hydroxyimino)butan-1-ol is CC(=NO)C(CO)=NO.
What is the InChIKey of 2,3-bis(hydroxyimino)butan-1-ol?
The InChIKey is XFBSOABOCYKHPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O3/c1-3(5-8)4(2-7)6-9/h7-9H,2H2,1H3.
What are the key properties of 2,3-bis(hydroxyimino)butan-1-ol?
2,3-bis(hydroxyimino)butan-1-ol has a molecular weight of 132.12 g/mol, XLogP of -0.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(hydroxyimino)butan-1-ol is sourced from PubChem (CID 137241957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).