(2Z)-2-hydroxyimino-1-phenylethanone

C8H7NO2 — CID 6399451

IUPAC(2Z)-2-hydroxyimino-1-phenylethanone
SMILESO=C(/C=N\O)c1ccccc1
InChIInChI=1S/C8H7NO2/c10-8(6-9-11)7-4-2-1-3-5-7/h1-6,11H/b9-6-
InChIKeyMLNKXLRYCLKJSS-TWGQIWQCSA-N
MW149.15 g/mol
LogP1.33
Rot. Bonds2

About (2Z)-2-hydroxyimino-1-phenylethanone

(2Z)-2-hydroxyimino-1-phenylethanone (PubChem CID 6399451) has the molecular formula C8H7NO2 and a molecular weight of 149.15 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-1-phenylethanone.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-1-phenylethanone
PubChem CID6399451
Molecular FormulaC8H7NO2
Molecular Weight149.15 g/mol
Exact Mass149.05
IUPAC Name(2Z)-2-hydroxyimino-1-phenylethanone
SMILESO=C(/C=N\O)c1ccccc1
InChIInChI=1S/C8H7NO2/c10-8(6-9-11)7-4-2-1-3-5-7/h1-6,11H/b9-6-
InChIKeyMLNKXLRYCLKJSS-TWGQIWQCSA-N
XLogP1.33
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.15
LogP ≤ 51.33
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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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-hydroxyimino-1-phenylethanone?
The IUPAC name of (2Z)-2-hydroxyimino-1-phenylethanone (CID 6399451) is (2Z)-2-hydroxyimino-1-phenylethanone.
What is the SMILES notation for (2Z)-2-hydroxyimino-1-phenylethanone?
The canonical SMILES for (2Z)-2-hydroxyimino-1-phenylethanone is O=C(/C=N\O)c1ccccc1.
What is the InChIKey of (2Z)-2-hydroxyimino-1-phenylethanone?
The InChIKey is MLNKXLRYCLKJSS-TWGQIWQCSA-N. The full InChI is InChI=1S/C8H7NO2/c10-8(6-9-11)7-4-2-1-3-5-7/h1-6,11H/b9-6-.
What are the key properties of (2Z)-2-hydroxyimino-1-phenylethanone?
(2Z)-2-hydroxyimino-1-phenylethanone has a molecular weight of 149.15 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-1-phenylethanone is sourced from PubChem (CID 6399451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).