methyl N-hydroxybenzenecarboximidate

C8H9NO2 — CID 583889

IUPACmethyl N-hydroxybenzenecarboximidate
SMILESCOC(=NO)c1ccccc1
InChIInChI=1S/C8H9NO2/c1-11-8(9-10)7-5-3-2-4-6-7/h2-6,10H,1H3
InChIKeyHUYDCTLGGLCUTE-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.47
Rot. Bonds1

About methyl N-hydroxybenzenecarboximidate

methyl N-hydroxybenzenecarboximidate (PubChem CID 583889) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is methyl N-hydroxybenzenecarboximidate.

Molecular Properties

Compound Namemethyl N-hydroxybenzenecarboximidate
PubChem CID583889
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Namemethyl N-hydroxybenzenecarboximidate
SMILESCOC(=NO)c1ccccc1
InChIInChI=1S/C8H9NO2/c1-11-8(9-10)7-5-3-2-4-6-7/h2-6,10H,1H3
InChIKeyHUYDCTLGGLCUTE-UHFFFAOYSA-N
XLogP1.47
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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

methyl N-methylbenzenecarboximidate
CID 519475
methyl N-[4-[[methoxy(phenyl)methylidene]amino]phenyl]benzenecarboximidate
CID 122577864
phenyl (Z)-N-hydroxybenzenecarboximidate
CID 22215228
methyl N-acetylbenzenecarboximidate
CID 13028603
methyl N-methoxycarbonylbenzenecarboximidate
CID 86114469
benzyl (E)-N-hydroxybenzenecarboximidate
CID 102268973
methyl (Z)-N-[phenyl(trimethylsilyl)methyl]benzenecarboximidate
CID 11098524
cyclohexyl N-hydroxybenzenecarboximidate
CID 88732672
[methoxy(phenyl)methylidene]manganese
CID 134898444
(NZ)-N-[(3E)-3-hydroxyimino-1,3-diphenylpropylidene]hydroxylamine
CID 6297502
methyl N-[(1S,2S)-2-cyanocyclopropyl]benzenecarboximidate
CID 11571974
(3-methoxyphenyl)methylidene-[[methoxy(phenyl)methylidene]amino]azanium
CID 173204840

Frequently Asked Questions

What is the IUPAC name of methyl N-hydroxybenzenecarboximidate?
The IUPAC name of methyl N-hydroxybenzenecarboximidate (CID 583889) is methyl N-hydroxybenzenecarboximidate.
What is the SMILES notation for methyl N-hydroxybenzenecarboximidate?
The canonical SMILES for methyl N-hydroxybenzenecarboximidate is COC(=NO)c1ccccc1.
What is the InChIKey of methyl N-hydroxybenzenecarboximidate?
The InChIKey is HUYDCTLGGLCUTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c1-11-8(9-10)7-5-3-2-4-6-7/h2-6,10H,1H3.
What are the key properties of methyl N-hydroxybenzenecarboximidate?
methyl N-hydroxybenzenecarboximidate has a molecular weight of 151.16 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-hydroxybenzenecarboximidate is sourced from PubChem (CID 583889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).