1-[(2E)-2-hydroxyimino-1H-naphthalen-1-yl]ethanone

C12H11NO2 — CID 119088677

IUPAC1-[(2E)-2-hydroxyimino-1H-naphthalen-1-yl]ethanone
SMILESCC(=O)C1/C(=N/O)C=Cc2ccccc21
InChIInChI=1S/C12H11NO2/c1-8(14)12-10-5-3-2-4-9(10)6-7-11(12)13-15/h2-7,12,15H,1H3/b13-11+
InChIKeyUAUQUIQPLWVIIU-ACCUITESSA-N
MW201.23 g/mol
LogP2.22
Rot. Bonds1

About 1-[(2E)-2-hydroxyimino-1H-naphthalen-1-yl]ethanone

1-[(2E)-2-hydroxyimino-1H-naphthalen-1-yl]ethanone (PubChem CID 119088677) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 1-[(2E)-2-hydroxyimino-1H-naphthalen-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2E)-2-hydroxyimino-1H-naphthalen-1-yl]ethanone
PubChem CID119088677
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name1-[(2E)-2-hydroxyimino-1H-naphthalen-1-yl]ethanone
SMILESCC(=O)C1/C(=N/O)C=Cc2ccccc21
InChIInChI=1S/C12H11NO2/c1-8(14)12-10-5-3-2-4-9(10)6-7-11(12)13-15/h2-7,12,15H,1H3/b13-11+
InChIKeyUAUQUIQPLWVIIU-ACCUITESSA-N
XLogP2.22
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 52.22
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

ethanol;tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-ol
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(1R,2R)-2-methyl-1,2-dihydronaphthalen-1-ol
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N-methyl-N-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaen-2-amine
CID 102513812
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[(1-cyano-1H-naphthalen-2-ylidene)amino] methanesulfonate
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1-prop-1-en-2-yl-1H-indene
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1-(2-hydroxy-1,2-dihydronaphthalen-1-yl)-1,2-dihydronaphthalen-2-ol
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2-[(1S)-1H-inden-1-yl]-N,N-dimethyl-2-oxoacetamide
CID 98521083
2,3,3-tris(1H-inden-1-yl)prop-2-enoic acid
CID 151679276
acetic acid;ethyl 1H-indene-1-carboxylate
CID 174482190
(15R,17R,19R)-17-acetyl-15-methylpentacyclo[6.6.5.02,7.09,14.015,19]nonadeca-2,4,6,9,11,13-hexaene-16,18-dione
CID 100863451

Frequently Asked Questions

What is the IUPAC name of 1-[(2E)-2-hydroxyimino-1H-naphthalen-1-yl]ethanone?
The IUPAC name of 1-[(2E)-2-hydroxyimino-1H-naphthalen-1-yl]ethanone (CID 119088677) is 1-[(2E)-2-hydroxyimino-1H-naphthalen-1-yl]ethanone.
What is the SMILES notation for 1-[(2E)-2-hydroxyimino-1H-naphthalen-1-yl]ethanone?
The canonical SMILES for 1-[(2E)-2-hydroxyimino-1H-naphthalen-1-yl]ethanone is CC(=O)C1/C(=N/O)C=Cc2ccccc21.
What is the InChIKey of 1-[(2E)-2-hydroxyimino-1H-naphthalen-1-yl]ethanone?
The InChIKey is UAUQUIQPLWVIIU-ACCUITESSA-N. The full InChI is InChI=1S/C12H11NO2/c1-8(14)12-10-5-3-2-4-9(10)6-7-11(12)13-15/h2-7,12,15H,1H3/b13-11+.
What are the key properties of 1-[(2E)-2-hydroxyimino-1H-naphthalen-1-yl]ethanone?
1-[(2E)-2-hydroxyimino-1H-naphthalen-1-yl]ethanone has a molecular weight of 201.23 g/mol, XLogP of 2.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E)-2-hydroxyimino-1H-naphthalen-1-yl]ethanone is sourced from PubChem (CID 119088677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).