phenyl (Z)-N-hydroxybenzenecarboximidate

C13H11NO2 — CID 22215228

IUPACphenyl (Z)-N-hydroxybenzenecarboximidate
SMILESO/N=C(\Oc1ccccc1)c1ccccc1
InChIInChI=1S/C13H11NO2/c15-14-13(11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10,15H/b14-13-
InChIKeyNNQUNXABTHGIPZ-YPKPFQOOSA-N
MW213.24 g/mol
LogP2.90
Rot. Bonds2

About phenyl (Z)-N-hydroxybenzenecarboximidate

phenyl (Z)-N-hydroxybenzenecarboximidate (PubChem CID 22215228) has the molecular formula C13H11NO2 and a molecular weight of 213.24 g/mol. Its IUPAC name is phenyl (Z)-N-hydroxybenzenecarboximidate.

Molecular Properties

Compound Namephenyl (Z)-N-hydroxybenzenecarboximidate
PubChem CID22215228
Molecular FormulaC13H11NO2
Molecular Weight213.24 g/mol
Exact Mass213.08
IUPAC Namephenyl (Z)-N-hydroxybenzenecarboximidate
SMILESO/N=C(\Oc1ccccc1)c1ccccc1
InChIInChI=1S/C13H11NO2/c15-14-13(11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10,15H/b14-13-
InChIKeyNNQUNXABTHGIPZ-YPKPFQOOSA-N
XLogP2.90
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.90
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-hydroxybenzenecarboximidate
CID 583889
phenyl N-benzylbenzenecarboximidate
CID 4210228
benzyl (E)-N-hydroxybenzenecarboximidate
CID 102268973
(NZ)-N-(2,2-difluoro-1-phenylethylidene)hydroxylamine
CID 22769392
cyclohexyl N-hydroxybenzenecarboximidate
CID 88732672
(4-phenoxyphenyl) N-hydroxyethanimidate
CID 173403017
N-(diphenoxymethylidene)benzamide
CID 13307152
phenyl 4-(1-adamantyl)-N-benzoylbenzenecarboximidate
CID 101258973
phenyl N-benzoylcarbamate
CID 66560330
O-phenyl N,N-dimethylcarbamothioate;propane
CID 145493124
methyl N-methylbenzenecarboximidate
CID 519475
(N-hydroxy-C-phenylcarbonimidoyl)-phenoxyphosphinic acid
CID 171773792

Frequently Asked Questions

What is the IUPAC name of phenyl (Z)-N-hydroxybenzenecarboximidate?
The IUPAC name of phenyl (Z)-N-hydroxybenzenecarboximidate (CID 22215228) is phenyl (Z)-N-hydroxybenzenecarboximidate.
What is the SMILES notation for phenyl (Z)-N-hydroxybenzenecarboximidate?
The canonical SMILES for phenyl (Z)-N-hydroxybenzenecarboximidate is O/N=C(\Oc1ccccc1)c1ccccc1.
What is the InChIKey of phenyl (Z)-N-hydroxybenzenecarboximidate?
The InChIKey is NNQUNXABTHGIPZ-YPKPFQOOSA-N. The full InChI is InChI=1S/C13H11NO2/c15-14-13(11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1-10,15H/b14-13-.
What are the key properties of phenyl (Z)-N-hydroxybenzenecarboximidate?
phenyl (Z)-N-hydroxybenzenecarboximidate has a molecular weight of 213.24 g/mol, XLogP of 2.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl (Z)-N-hydroxybenzenecarboximidate is sourced from PubChem (CID 22215228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).