benzyl (E)-N-hydroxybenzenecarboximidate

C14H13NO2 — CID 102268973

IUPACbenzyl (E)-N-hydroxybenzenecarboximidate
SMILESO/N=C(/OCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO2/c16-15-14(13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-10,16H,11H2/b15-14+
InChIKeyKOEZMYDOUFRSSP-CCEZHUSRSA-N
MW227.26 g/mol
LogP3.04
Rot. Bonds3

About benzyl (E)-N-hydroxybenzenecarboximidate

benzyl (E)-N-hydroxybenzenecarboximidate (PubChem CID 102268973) has the molecular formula C14H13NO2 and a molecular weight of 227.26 g/mol. Its IUPAC name is benzyl (E)-N-hydroxybenzenecarboximidate.

Molecular Properties

Compound Namebenzyl (E)-N-hydroxybenzenecarboximidate
PubChem CID102268973
Molecular FormulaC14H13NO2
Molecular Weight227.26 g/mol
Exact Mass227.09
IUPAC Namebenzyl (E)-N-hydroxybenzenecarboximidate
SMILESO/N=C(/OCc1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NO2/c16-15-14(13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-10,16H,11H2/b15-14+
InChIKeyKOEZMYDOUFRSSP-CCEZHUSRSA-N
XLogP3.04
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 53.04
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

benzyl (E)-N-phenylmethoxycarbonylbenzenecarboximidate
CID 10472737
benzyl benzoate
CID 2345
methyl N-hydroxybenzenecarboximidate
CID 583889
phenyl (Z)-N-hydroxybenzenecarboximidate
CID 22215228
benzyl 2-chloro-2-hydroxyiminoacetate
CID 6823766
3-phenylmethoxybut-2-en-2-yloxymethylbenzene
CID 86006666
1-phenylethenoxymethylbenzene;tetrabromomethane
CID 174884252
CID 174906307
CID 174906307
benzyl 2-hydroxyiminoacetate
CID 139661183
[(Z)-1,2-diphenylethenoxy]methylbenzene
CID 134952285
benzyl acetate;benzyl benzoate
CID 158805672
benzyl N-benzamidocarbamate
CID 4935848

Frequently Asked Questions

What is the IUPAC name of benzyl (E)-N-hydroxybenzenecarboximidate?
The IUPAC name of benzyl (E)-N-hydroxybenzenecarboximidate (CID 102268973) is benzyl (E)-N-hydroxybenzenecarboximidate.
What is the SMILES notation for benzyl (E)-N-hydroxybenzenecarboximidate?
The canonical SMILES for benzyl (E)-N-hydroxybenzenecarboximidate is O/N=C(/OCc1ccccc1)c1ccccc1.
What is the InChIKey of benzyl (E)-N-hydroxybenzenecarboximidate?
The InChIKey is KOEZMYDOUFRSSP-CCEZHUSRSA-N. The full InChI is InChI=1S/C14H13NO2/c16-15-14(13-9-5-2-6-10-13)17-11-12-7-3-1-4-8-12/h1-10,16H,11H2/b15-14+.
What are the key properties of benzyl (E)-N-hydroxybenzenecarboximidate?
benzyl (E)-N-hydroxybenzenecarboximidate has a molecular weight of 227.26 g/mol, XLogP of 3.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (E)-N-hydroxybenzenecarboximidate is sourced from PubChem (CID 102268973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).