benzyl N-hydroxymethanimidate

C8H9NO2 — CID 134694398

IUPACbenzyl N-hydroxymethanimidate
SMILESON=COCc1ccccc1
InChIInChI=1S/C8H9NO2/c10-9-7-11-6-8-4-2-1-3-5-8/h1-5,7,10H,6H2
InChIKeyULFJVVLSNMCWKK-UHFFFAOYSA-N
MW151.16 g/mol
LogP1.62
Rot. Bonds3

About benzyl N-hydroxymethanimidate

benzyl N-hydroxymethanimidate (PubChem CID 134694398) has the molecular formula C8H9NO2 and a molecular weight of 151.16 g/mol. Its IUPAC name is benzyl N-hydroxymethanimidate.

Molecular Properties

Compound Namebenzyl N-hydroxymethanimidate
PubChem CID134694398
Molecular FormulaC8H9NO2
Molecular Weight151.16 g/mol
Exact Mass151.06
IUPAC Namebenzyl N-hydroxymethanimidate
SMILESON=COCc1ccccc1
InChIInChI=1S/C8H9NO2/c10-9-7-11-6-8-4-2-1-3-5-8/h1-5,7,10H,6H2
InChIKeyULFJVVLSNMCWKK-UHFFFAOYSA-N
XLogP1.62
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.16
LogP ≤ 51.62
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

ethenoxymethylbenzene
CID 11116115
2,2-difluoroethenoxymethylbenzene
CID 53483110
benzyl 2-hydroxyiminoacetate
CID 139661183
ethane;ethenoxymethylbenzene
CID 144676673
phenylmethoxymethylidenephosphane
CID 142882655
benzyl methanimidate
CID 10176165
(E)-4-phenylmethoxybut-3-en-2-one
CID 5368274
(E)-3-phenylmethoxyprop-2-enoyl chloride
CID 638415
triphenyl(phenylmethoxymethylidene)-λ5-phosphane
CID 14869671
[(E)-3-fluoroprop-1-enoxy]methylbenzene
CID 143459033
3-phenylmethoxyprop-2-enylsilane
CID 173015897
[(E)-2,4-diphenylbut-1-enoxy]methylbenzene
CID 134937265

Frequently Asked Questions

What is the IUPAC name of benzyl N-hydroxymethanimidate?
The IUPAC name of benzyl N-hydroxymethanimidate (CID 134694398) is benzyl N-hydroxymethanimidate.
What is the SMILES notation for benzyl N-hydroxymethanimidate?
The canonical SMILES for benzyl N-hydroxymethanimidate is ON=COCc1ccccc1.
What is the InChIKey of benzyl N-hydroxymethanimidate?
The InChIKey is ULFJVVLSNMCWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9NO2/c10-9-7-11-6-8-4-2-1-3-5-8/h1-5,7,10H,6H2.
What are the key properties of benzyl N-hydroxymethanimidate?
benzyl N-hydroxymethanimidate has a molecular weight of 151.16 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-hydroxymethanimidate is sourced from PubChem (CID 134694398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).