cyclohexyl N-hydroxybenzenecarboximidate

C13H17NO2 — CID 88732672

IUPACcyclohexyl N-hydroxybenzenecarboximidate
SMILESON=C(OC1CCCCC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c15-14-13(11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1,3-4,7-8,12,15H,2,5-6,9-10H2
InChIKeyPWHUILWJCHOROL-UHFFFAOYSA-N
MW219.28 g/mol
LogP3.17
Rot. Bonds2

About cyclohexyl N-hydroxybenzenecarboximidate

cyclohexyl N-hydroxybenzenecarboximidate (PubChem CID 88732672) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is cyclohexyl N-hydroxybenzenecarboximidate.

Molecular Properties

Compound Namecyclohexyl N-hydroxybenzenecarboximidate
PubChem CID88732672
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Namecyclohexyl N-hydroxybenzenecarboximidate
SMILESON=C(OC1CCCCC1)c1ccccc1
InChIInChI=1S/C13H17NO2/c15-14-13(11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1,3-4,7-8,12,15H,2,5-6,9-10H2
InChIKeyPWHUILWJCHOROL-UHFFFAOYSA-N
XLogP3.17
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 53.17
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
(4-cyclohexylcyclohexyl) benzoate
CID 20686453
phenyl (Z)-N-hydroxybenzenecarboximidate
CID 22215228
cyclododecyloxy(phenoxy)methanethione
CID 14200393
cyclohexyl benzenecarboperoxoate
CID 154097275
1,2-dicyclohexyloxybenzene
CID 67331328
dicyclohexyl 2-phenylpropanedioate
CID 130210180
dicyclohexyl benzene-1,2-dicarboxylate;methane
CID 160634913
cycloheptyloxy(phenyl)borinic acid
CID 140751557
cyclooctyl 2-hydroxyimino-12-phenyldodecanoate
CID 154139161
cyclopentyl(phenyl)methanethione
CID 91757146
1-cyclohexyloxy-1-ethoxy-N-phenylmethanimine
CID 23318357

Frequently Asked Questions

What is the IUPAC name of cyclohexyl N-hydroxybenzenecarboximidate?
The IUPAC name of cyclohexyl N-hydroxybenzenecarboximidate (CID 88732672) is cyclohexyl N-hydroxybenzenecarboximidate.
What is the SMILES notation for cyclohexyl N-hydroxybenzenecarboximidate?
The canonical SMILES for cyclohexyl N-hydroxybenzenecarboximidate is ON=C(OC1CCCCC1)c1ccccc1.
What is the InChIKey of cyclohexyl N-hydroxybenzenecarboximidate?
The InChIKey is PWHUILWJCHOROL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO2/c15-14-13(11-7-3-1-4-8-11)16-12-9-5-2-6-10-12/h1,3-4,7-8,12,15H,2,5-6,9-10H2.
What are the key properties of cyclohexyl N-hydroxybenzenecarboximidate?
cyclohexyl N-hydroxybenzenecarboximidate has a molecular weight of 219.28 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl N-hydroxybenzenecarboximidate is sourced from PubChem (CID 88732672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).