4-amino-3-hydroxyiminobutan-2-one

C4H8N2O2 — CID 173442146

IUPAC4-amino-3-hydroxyiminobutan-2-one
SMILESCC(=O)C(CN)=NO
InChIInChI=1S/C4H8N2O2/c1-3(7)4(2-5)6-8/h8H,2,5H2,1H3
InChIKeyWNXCUYLQYGGQAD-UHFFFAOYSA-N
MW116.12 g/mol
LogP-0.64
Rot. Bonds2

About 4-amino-3-hydroxyiminobutan-2-one

4-amino-3-hydroxyiminobutan-2-one (PubChem CID 173442146) has the molecular formula C4H8N2O2 and a molecular weight of 116.12 g/mol. Its IUPAC name is 4-amino-3-hydroxyiminobutan-2-one.

Molecular Properties

Compound Name4-amino-3-hydroxyiminobutan-2-one
PubChem CID173442146
Molecular FormulaC4H8N2O2
Molecular Weight116.12 g/mol
Exact Mass116.06
IUPAC Name4-amino-3-hydroxyiminobutan-2-one
SMILESCC(=O)C(CN)=NO
InChIInChI=1S/C4H8N2O2/c1-3(7)4(2-5)6-8/h8H,2,5H2,1H3
InChIKeyWNXCUYLQYGGQAD-UHFFFAOYSA-N
XLogP-0.64
TPSA75.68 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.12
LogP ≤ 5-0.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

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Related Compounds

Isonitrozine
CID 9570331
4-Amino-3-iminobutan-2-one
CID 57311270
(3Z)-4-amino-3-methoxyiminobutan-2-one
CID 118219539
[(4-Amino-3-oxobutan-2-ylidene)amino] propanoate
CID 149626774
1-Amino-2-iminopentan-3-one
CID 156063354
Acetonitrile;4-amino-3-hydroxyiminobutan-2-one
CID 173442145
[(2E)-2-hydroxyimino-3-oxobutyl]-dimethylazanium chloride
CID 6399226
[(2Z)-2-hydroxyimino-3-oxobutyl]-dimethylazanium
CID 6939033
[(2E)-2-hydroxyimino-3-oxobutyl]-dimethylazanium
CID 7340456

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-hydroxyiminobutan-2-one?
The IUPAC name of 4-amino-3-hydroxyiminobutan-2-one (CID 173442146) is 4-amino-3-hydroxyiminobutan-2-one.
What is the SMILES notation for 4-amino-3-hydroxyiminobutan-2-one?
The canonical SMILES for 4-amino-3-hydroxyiminobutan-2-one is CC(=O)C(CN)=NO.
What is the InChIKey of 4-amino-3-hydroxyiminobutan-2-one?
The InChIKey is WNXCUYLQYGGQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N2O2/c1-3(7)4(2-5)6-8/h8H,2,5H2,1H3.
What are the key properties of 4-amino-3-hydroxyiminobutan-2-one?
4-amino-3-hydroxyiminobutan-2-one has a molecular weight of 116.12 g/mol, XLogP of -0.64, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-hydroxyiminobutan-2-one is sourced from PubChem (CID 173442146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).