1-hydroxyimino-1-phenylpropan-2-one

C9H9NO2 — CID 6708483

IUPAC1-hydroxyimino-1-phenylpropan-2-one
SMILESCC(=O)C(=NO)c1ccccc1
InChIInChI=1S/C9H9NO2/c1-7(11)9(10-12)8-5-3-2-4-6-8/h2-6,12H,1H3
InChIKeyYQHWURFNAULYNW-UHFFFAOYSA-N
MW163.18 g/mol
LogP1.45
Rot. Bonds2

About 1-hydroxyimino-1-phenylpropan-2-one

1-hydroxyimino-1-phenylpropan-2-one (PubChem CID 6708483) has the molecular formula C9H9NO2 and a molecular weight of 163.18 g/mol. Its IUPAC name is 1-hydroxyimino-1-phenylpropan-2-one.

Molecular Properties

Compound Name1-hydroxyimino-1-phenylpropan-2-one
PubChem CID6708483
Molecular FormulaC9H9NO2
Molecular Weight163.18 g/mol
Exact Mass163.06
IUPAC Name1-hydroxyimino-1-phenylpropan-2-one
SMILESCC(=O)C(=NO)c1ccccc1
InChIInChI=1S/C9H9NO2/c1-7(11)9(10-12)8-5-3-2-4-6-8/h2-6,12H,1H3
InChIKeyYQHWURFNAULYNW-UHFFFAOYSA-N
XLogP1.45
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.18
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-hydroxyimino-1-phenylpropan-2-one?
The IUPAC name of 1-hydroxyimino-1-phenylpropan-2-one (CID 6708483) is 1-hydroxyimino-1-phenylpropan-2-one.
What is the SMILES notation for 1-hydroxyimino-1-phenylpropan-2-one?
The canonical SMILES for 1-hydroxyimino-1-phenylpropan-2-one is CC(=O)C(=NO)c1ccccc1.
What is the InChIKey of 1-hydroxyimino-1-phenylpropan-2-one?
The InChIKey is YQHWURFNAULYNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2/c1-7(11)9(10-12)8-5-3-2-4-6-8/h2-6,12H,1H3.
What are the key properties of 1-hydroxyimino-1-phenylpropan-2-one?
1-hydroxyimino-1-phenylpropan-2-one has a molecular weight of 163.18 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxyimino-1-phenylpropan-2-one is sourced from PubChem (CID 6708483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).