(1Z)-1-hydroxyiminobutan-2-one

C4H7NO2 — CID 6434183

IUPAC(1Z)-1-hydroxyiminobutan-2-one
SMILESCCC(=O)/C=N\O
InChIInChI=1S/C4H7NO2/c1-2-4(6)3-5-7/h3,7H,2H2,1H3/b5-3-
InChIKeyNDQMJZCPBOBKQB-HYXAFXHYSA-N
MW101.10 g/mol
LogP0.90
Rot. Bonds2

About (1Z)-1-hydroxyiminobutan-2-one

(1Z)-1-hydroxyiminobutan-2-one (PubChem CID 6434183) has the molecular formula C4H7NO2 and a molecular weight of 101.10 g/mol. Its IUPAC name is (1Z)-1-hydroxyiminobutan-2-one.

Molecular Properties

Compound Name(1Z)-1-hydroxyiminobutan-2-one
PubChem CID6434183
Molecular FormulaC4H7NO2
Molecular Weight101.10 g/mol
Exact Mass101.05
IUPAC Name(1Z)-1-hydroxyiminobutan-2-one
SMILESCCC(=O)/C=N\O
InChIInChI=1S/C4H7NO2/c1-2-4(6)3-5-7/h3,7H,2H2,1H3/b5-3-
InChIKeyNDQMJZCPBOBKQB-HYXAFXHYSA-N
XLogP0.90
TPSA49.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms7
Complexity87

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500101.10
LogP ≤ 50.90
H-Bond Donors ≤ 51
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'}

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Related Compounds

Isonitrosoacetone
CID 6399095
(Z)-2-Oxopropanal oxime
CID 6399090
Butanal, 2-oxo-, 1-oxime
CID 9570538
2-Oxopropanal-1-oxime
CID 6399213
2-Oxobutanal 1-oxime
CID 6399233
1,2,3-Propanetrione, 1,3-dioxime
CID 9554203
(e)-3-Methoxyimino-propanone
CID 13237069
Pentanal, 2-oxo-, 1-oxime
CID 9554225
Butanal, 3-methyl-2-oxo-, 1-oxime
CID 9570596
Butanal, 3,3-dimethyl-2-oxo-, 1-oxime
CID 9570604
Hexanal, 2-oxo-, 1-oxime
CID 9570621
1,3-Bis(hydroxyimino)propan-2-one
CID 6399789

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-hydroxyiminobutan-2-one?
The IUPAC name of (1Z)-1-hydroxyiminobutan-2-one (CID 6434183) is (1Z)-1-hydroxyiminobutan-2-one.
What is the SMILES notation for (1Z)-1-hydroxyiminobutan-2-one?
The canonical SMILES for (1Z)-1-hydroxyiminobutan-2-one is CCC(=O)/C=N\O.
What is the InChIKey of (1Z)-1-hydroxyiminobutan-2-one?
The InChIKey is NDQMJZCPBOBKQB-HYXAFXHYSA-N. The full InChI is InChI=1S/C4H7NO2/c1-2-4(6)3-5-7/h3,7H,2H2,1H3/b5-3-.
What are the key properties of (1Z)-1-hydroxyiminobutan-2-one?
(1Z)-1-hydroxyiminobutan-2-one has a molecular weight of 101.10 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-hydroxyiminobutan-2-one is sourced from PubChem (CID 6434183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).