(2Z)-2-hydroxyimino-1-phenylbutan-1-one

C10H11NO2 — CID 12843450

IUPAC(2Z)-2-hydroxyimino-1-phenylbutan-1-one
SMILESCC/C(=N/O)C(=O)c1ccccc1
InChIInChI=1S/C10H11NO2/c1-2-9(11-13)10(12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3/b11-9-
InChIKeyPSZPNRHZQKXZRI-LUAWRHEFSA-N
MW177.20 g/mol
LogP2.11
Rot. Bonds3

About (2Z)-2-hydroxyimino-1-phenylbutan-1-one

(2Z)-2-hydroxyimino-1-phenylbutan-1-one (PubChem CID 12843450) has the molecular formula C10H11NO2 and a molecular weight of 177.20 g/mol. Its IUPAC name is (2Z)-2-hydroxyimino-1-phenylbutan-1-one.

Molecular Properties

Compound Name(2Z)-2-hydroxyimino-1-phenylbutan-1-one
PubChem CID12843450
Molecular FormulaC10H11NO2
Molecular Weight177.20 g/mol
Exact Mass177.08
IUPAC Name(2Z)-2-hydroxyimino-1-phenylbutan-1-one
SMILESCC/C(=N/O)C(=O)c1ccccc1
InChIInChI=1S/C10H11NO2/c1-2-9(11-13)10(12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3/b11-9-
InChIKeyPSZPNRHZQKXZRI-LUAWRHEFSA-N
XLogP2.11
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.20
LogP ≤ 52.11
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 (2Z)-2-hydroxyimino-1-phenylbutan-1-one?
The IUPAC name of (2Z)-2-hydroxyimino-1-phenylbutan-1-one (CID 12843450) is (2Z)-2-hydroxyimino-1-phenylbutan-1-one.
What is the SMILES notation for (2Z)-2-hydroxyimino-1-phenylbutan-1-one?
The canonical SMILES for (2Z)-2-hydroxyimino-1-phenylbutan-1-one is CC/C(=N/O)C(=O)c1ccccc1.
What is the InChIKey of (2Z)-2-hydroxyimino-1-phenylbutan-1-one?
The InChIKey is PSZPNRHZQKXZRI-LUAWRHEFSA-N. The full InChI is InChI=1S/C10H11NO2/c1-2-9(11-13)10(12)8-6-4-3-5-7-8/h3-7,13H,2H2,1H3/b11-9-.
What are the key properties of (2Z)-2-hydroxyimino-1-phenylbutan-1-one?
(2Z)-2-hydroxyimino-1-phenylbutan-1-one has a molecular weight of 177.20 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-hydroxyimino-1-phenylbutan-1-one is sourced from PubChem (CID 12843450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).