2-hydroxyimino-1-naphthalen-1-ylethanone

C12H9NO2 — CID 72672439

IUPAC2-hydroxyimino-1-naphthalen-1-ylethanone
SMILESO=C(C=NO)c1cccc2ccccc12
InChIInChI=1S/C12H9NO2/c14-12(8-13-15)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,15H
InChIKeyLITLPTHMFZRCPR-UHFFFAOYSA-N
MW199.21 g/mol
LogP2.48
Rot. Bonds2

About 2-hydroxyimino-1-naphthalen-1-ylethanone

2-hydroxyimino-1-naphthalen-1-ylethanone (PubChem CID 72672439) has the molecular formula C12H9NO2 and a molecular weight of 199.21 g/mol. Its IUPAC name is 2-hydroxyimino-1-naphthalen-1-ylethanone.

Molecular Properties

Compound Name2-hydroxyimino-1-naphthalen-1-ylethanone
PubChem CID72672439
Molecular FormulaC12H9NO2
Molecular Weight199.21 g/mol
Exact Mass199.06
IUPAC Name2-hydroxyimino-1-naphthalen-1-ylethanone
SMILESO=C(C=NO)c1cccc2ccccc12
InChIInChI=1S/C12H9NO2/c14-12(8-13-15)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,15H
InChIKeyLITLPTHMFZRCPR-UHFFFAOYSA-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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Related Compounds

1,3-dinaphthalen-1-ylpropane-1,2,3-trione
CID 67892351
(2E)-1-(2-bromophenyl)-2-hydroxyiminoethanone
CID 87742582
2-diazo-1-naphthalen-1-ylethanone
CID 73176926
(2E,4Z)-1-naphthalen-1-ylhepta-2,4-dien-1-one
CID 139259985
(E)-4,4,4-trifluoro-1-naphthalen-1-ylbut-2-en-1-one
CID 101484406
2-hydroxyimino-N-naphthalen-1-ylacetamide
CID 53426995
tris(naphthalene-1-carboxylic acid);phosphane
CID 172834804
N-(dinaphthalen-1-ylmethylidene)hydroxylamine
CID 88653107
naphthalene-1-carbonyl iodide
CID 87393513
N-ethylidenenaphthalene-1-carboxamide
CID 170239483
sodium naphthalene-1-carbothioate
CID 134872711
CID 129133768
CID 129133768

Frequently Asked Questions

What is the IUPAC name of 2-hydroxyimino-1-naphthalen-1-ylethanone?
The IUPAC name of 2-hydroxyimino-1-naphthalen-1-ylethanone (CID 72672439) is 2-hydroxyimino-1-naphthalen-1-ylethanone.
What is the SMILES notation for 2-hydroxyimino-1-naphthalen-1-ylethanone?
The canonical SMILES for 2-hydroxyimino-1-naphthalen-1-ylethanone is O=C(C=NO)c1cccc2ccccc12.
What is the InChIKey of 2-hydroxyimino-1-naphthalen-1-ylethanone?
The InChIKey is LITLPTHMFZRCPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO2/c14-12(8-13-15)11-7-3-5-9-4-1-2-6-10(9)11/h1-8,15H.
What are the key properties of 2-hydroxyimino-1-naphthalen-1-ylethanone?
2-hydroxyimino-1-naphthalen-1-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 2-hydroxyimino-1-naphthalen-1-ylethanone is sourced from PubChem (CID 72672439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).