(2E)-2-hydroxyimino-1-naphthalen-2-ylethanone

C12H9NO2 — CID 15674388

IUPAC(2E)-2-hydroxyimino-1-naphthalen-2-ylethanone
SMILESO=C(/C=N/O)c1ccc2ccccc2c1
InChIInChI=1S/C12H9NO2/c14-12(8-13-15)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,15H/b13-8+
InChIKeyWSKRTTKFMNQDMF-MDWZMJQESA-N
MW199.21 g/mol
LogP2.48
Rot. Bonds2

About (2E)-2-hydroxyimino-1-naphthalen-2-ylethanone

(2E)-2-hydroxyimino-1-naphthalen-2-ylethanone (PubChem CID 15674388) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is (2E)-2-hydroxyimino-1-naphthalen-2-ylethanone.

Molecular Properties

Compound Name(2E)-2-hydroxyimino-1-naphthalen-2-ylethanone
PubChem CID15674388
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name(2E)-2-hydroxyimino-1-naphthalen-2-ylethanone
SMILESO=C(/C=N/O)c1ccc2ccccc2c1
InChIInChI=1S/C12H9NO2/c14-12(8-13-15)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,15H/b13-8+
InChIKeyWSKRTTKFMNQDMF-MDWZMJQESA-N
XLogP2.48
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 52.48
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 (2E)-2-hydroxyimino-1-naphthalen-2-ylethanone?
The IUPAC name of (2E)-2-hydroxyimino-1-naphthalen-2-ylethanone (CID 15674388) is (2E)-2-hydroxyimino-1-naphthalen-2-ylethanone.
What is the SMILES notation for (2E)-2-hydroxyimino-1-naphthalen-2-ylethanone?
The canonical SMILES for (2E)-2-hydroxyimino-1-naphthalen-2-ylethanone is O=C(/C=N/O)c1ccc2ccccc2c1.
What is the InChIKey of (2E)-2-hydroxyimino-1-naphthalen-2-ylethanone?
The InChIKey is WSKRTTKFMNQDMF-MDWZMJQESA-N. The full InChI is InChI=1S/C12H9NO2/c14-12(8-13-15)11-6-5-9-3-1-2-4-10(9)7-11/h1-8,15H/b13-8+.
What are the key properties of (2E)-2-hydroxyimino-1-naphthalen-2-ylethanone?
(2E)-2-hydroxyimino-1-naphthalen-2-ylethanone has a molecular weight of 199.21 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-hydroxyimino-1-naphthalen-2-ylethanone is sourced from PubChem (CID 15674388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).