4-hydroxyimino-N-methyl-3-oxobutanamide

C5H8N2O3 — CID 173398159

IUPAC4-hydroxyimino-N-methyl-3-oxobutanamide
SMILESCNC(=O)CC(=O)C=NO
InChIInChI=1S/C5H8N2O3/c1-6-5(9)2-4(8)3-7-10/h3,10H,2H2,1H3,(H,6,9)
InChIKeyVKJYYUIQCVCYEG-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.85
Rot. Bonds3

About 4-hydroxyimino-N-methyl-3-oxobutanamide

4-hydroxyimino-N-methyl-3-oxobutanamide (PubChem CID 173398159) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 4-hydroxyimino-N-methyl-3-oxobutanamide.

Molecular Properties

Compound Name4-hydroxyimino-N-methyl-3-oxobutanamide
PubChem CID173398159
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name4-hydroxyimino-N-methyl-3-oxobutanamide
SMILESCNC(=O)CC(=O)C=NO
InChIInChI=1S/C5H8N2O3/c1-6-5(9)2-4(8)3-7-10/h3,10H,2H2,1H3,(H,6,9)
InChIKeyVKJYYUIQCVCYEG-UHFFFAOYSA-N
XLogP-0.85
TPSA78.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', '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'}

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxyimino-N-methyl-3-oxobutanamide?
The IUPAC name of 4-hydroxyimino-N-methyl-3-oxobutanamide (CID 173398159) is 4-hydroxyimino-N-methyl-3-oxobutanamide.
What is the SMILES notation for 4-hydroxyimino-N-methyl-3-oxobutanamide?
The canonical SMILES for 4-hydroxyimino-N-methyl-3-oxobutanamide is CNC(=O)CC(=O)C=NO.
What is the InChIKey of 4-hydroxyimino-N-methyl-3-oxobutanamide?
The InChIKey is VKJYYUIQCVCYEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-6-5(9)2-4(8)3-7-10/h3,10H,2H2,1H3,(H,6,9).
What are the key properties of 4-hydroxyimino-N-methyl-3-oxobutanamide?
4-hydroxyimino-N-methyl-3-oxobutanamide has a molecular weight of 144.13 g/mol, XLogP of -0.85, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxyimino-N-methyl-3-oxobutanamide is sourced from PubChem (CID 173398159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).