N'-hydroxy-3-oxobutanimidamide

C4H8N2O2 — CID 23339865

IUPACN'-hydroxy-3-oxobutanimidamide
SMILESCC(=O)C/C(N)=N/O
InChIInChI=1S/C4H8N2O2/c1-3(7)2-4(5)6-8/h8H,2H2,1H3,(H2,5,6)
InChIKeyMBIKFKWEOKVQDM-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.29
Rot. Bonds2

About N'-hydroxy-3-oxobutanimidamide

N'-hydroxy-3-oxobutanimidamide (PubChem CID 23339865) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is N'-hydroxy-3-oxobutanimidamide.

Molecular Properties

Compound NameN'-hydroxy-3-oxobutanimidamide
PubChem CID23339865
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC NameN'-hydroxy-3-oxobutanimidamide
SMILESCC(=O)C/C(N)=N/O
InChIInChI=1S/C4H8N2O2/c1-3(7)2-4(5)6-8/h8H,2H2,1H3,(H2,5,6)
InChIKeyMBIKFKWEOKVQDM-UHFFFAOYSA-N
XLogP-0.29
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 N'-hydroxy-3-oxobutanimidamide?
The IUPAC name of N'-hydroxy-3-oxobutanimidamide (CID 23339865) is N'-hydroxy-3-oxobutanimidamide.
What is the SMILES notation for N'-hydroxy-3-oxobutanimidamide?
The canonical SMILES for N'-hydroxy-3-oxobutanimidamide is CC(=O)C/C(N)=N/O.
What is the InChIKey of N'-hydroxy-3-oxobutanimidamide?
The InChIKey is MBIKFKWEOKVQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-3(7)2-4(5)6-8/h8H,2H2,1H3,(H2,5,6).
What are the key properties of N'-hydroxy-3-oxobutanimidamide?
N'-hydroxy-3-oxobutanimidamide has a molecular weight of 116.12 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-3-oxobutanimidamide is sourced from PubChem (CID 23339865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).