N-(2-hydroxyiminobutyl)acetamide

C6H12N2O2 — CID 142657534

IUPACN-(2-hydroxyiminobutyl)acetamide
SMILESCCC(CNC(C)=O)=NO
InChIInChI=1S/C6H12N2O2/c1-3-6(8-10)4-7-5(2)9/h10H,3-4H2,1-2H3,(H,7,9)
InChIKeyVDKCAFRIXRGPKR-UHFFFAOYSA-N
MW144.17 g/mol
LogP0.36
Rot. Bonds3

About N-(2-hydroxyiminobutyl)acetamide

N-(2-hydroxyiminobutyl)acetamide (PubChem CID 142657534) has the molecular formula C6H12N2O2 and a molecular weight of 144.17 g/mol. Its IUPAC name is N-(2-hydroxyiminobutyl)acetamide.

Molecular Properties

Compound NameN-(2-hydroxyiminobutyl)acetamide
PubChem CID142657534
Molecular FormulaC6H12N2O2
Molecular Weight144.17 g/mol
Exact Mass144.09
IUPAC NameN-(2-hydroxyiminobutyl)acetamide
SMILESCCC(CNC(C)=O)=NO
InChIInChI=1S/C6H12N2O2/c1-3-6(8-10)4-7-5(2)9/h10H,3-4H2,1-2H3,(H,7,9)
InChIKeyVDKCAFRIXRGPKR-UHFFFAOYSA-N
XLogP0.36
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.17
LogP ≤ 50.36
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'}

Analyze N-(2-hydroxyiminobutyl)acetamide 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 N-(2-hydroxyiminobutyl)acetamide?
The IUPAC name of N-(2-hydroxyiminobutyl)acetamide (CID 142657534) is N-(2-hydroxyiminobutyl)acetamide.
What is the SMILES notation for N-(2-hydroxyiminobutyl)acetamide?
The canonical SMILES for N-(2-hydroxyiminobutyl)acetamide is CCC(CNC(C)=O)=NO.
What is the InChIKey of N-(2-hydroxyiminobutyl)acetamide?
The InChIKey is VDKCAFRIXRGPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O2/c1-3-6(8-10)4-7-5(2)9/h10H,3-4H2,1-2H3,(H,7,9).
What are the key properties of N-(2-hydroxyiminobutyl)acetamide?
N-(2-hydroxyiminobutyl)acetamide has a molecular weight of 144.17 g/mol, XLogP of 0.36, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyiminobutyl)acetamide is sourced from PubChem (CID 142657534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).