2-(hydroxyiminomethyl)-3-oxobutanamide

C5H8N2O3 — CID 88515780

IUPAC2-(hydroxyiminomethyl)-3-oxobutanamide
SMILESCC(=O)C(C=NO)C(N)=O
InChIInChI=1S/C5H8N2O3/c1-3(8)4(2-7-10)5(6)9/h2,4,10H,1H3,(H2,6,9)
InChIKeyTYYGSFZGIWONDG-UHFFFAOYSA-N
MW144.13 g/mol
LogP-0.86
Rot. Bonds3

About 2-(hydroxyiminomethyl)-3-oxobutanamide

2-(hydroxyiminomethyl)-3-oxobutanamide (PubChem CID 88515780) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is 2-(hydroxyiminomethyl)-3-oxobutanamide.

Molecular Properties

Compound Name2-(hydroxyiminomethyl)-3-oxobutanamide
PubChem CID88515780
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name2-(hydroxyiminomethyl)-3-oxobutanamide
SMILESCC(=O)C(C=NO)C(N)=O
InChIInChI=1S/C5H8N2O3/c1-3(8)4(2-7-10)5(6)9/h2,4,10H,1H3,(H2,6,9)
InChIKeyTYYGSFZGIWONDG-UHFFFAOYSA-N
XLogP-0.86
TPSA92.75 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 ≤ 5-0.86
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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Related Compounds

2-formyl-3-oxobutanamide
CID 45085336
3-(methyliminomethyl)pentane-2,4-dione
CID 7156894
(3Z)-2-cyano-3-hydroxyiminopropanamide
CID 87558261
2-acetyl-3-oxobutanal;rhodium
CID 175459599
(2R)-2-chloro-3-oxobutanamide
CID 98075888
2-methylpropanamide;bis(propan-2-one)
CID 174404145
acetamide
CID 139024037
2-(methyldiazenyl)-3-oxobutanamide
CID 89213686
2-acetyl-4-amino-3-oxopentanamide
CID 91493082
3-acetylpentane-2,4-dione;hafnium
CID 87389102
carbamic acid;N-propan-2-ylidenehydroxylamine
CID 22915581
2,6-diaminohepta-2,5-dien-4-one
CID 74377910

Frequently Asked Questions

What is the IUPAC name of 2-(hydroxyiminomethyl)-3-oxobutanamide?
The IUPAC name of 2-(hydroxyiminomethyl)-3-oxobutanamide (CID 88515780) is 2-(hydroxyiminomethyl)-3-oxobutanamide.
What is the SMILES notation for 2-(hydroxyiminomethyl)-3-oxobutanamide?
The canonical SMILES for 2-(hydroxyiminomethyl)-3-oxobutanamide is CC(=O)C(C=NO)C(N)=O.
What is the InChIKey of 2-(hydroxyiminomethyl)-3-oxobutanamide?
The InChIKey is TYYGSFZGIWONDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8N2O3/c1-3(8)4(2-7-10)5(6)9/h2,4,10H,1H3,(H2,6,9).
What are the key properties of 2-(hydroxyiminomethyl)-3-oxobutanamide?
2-(hydroxyiminomethyl)-3-oxobutanamide has a molecular weight of 144.13 g/mol, XLogP of -0.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxyiminomethyl)-3-oxobutanamide is sourced from PubChem (CID 88515780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).