N-(4-nitrophenoxy)cyclohexanimine

C12H14N2O3 — CID 2927145

IUPACN-(4-nitrophenoxy)cyclohexanimine
SMILESO=[N+]([O-])c1ccc(ON=C2CCCCC2)cc1
InChIInChI=1S/C12H14N2O3/c15-14(16)11-6-8-12(9-7-11)17-13-10-4-2-1-3-5-10/h6-9H,1-5H2
InChIKeyCVGURZCSMXENHW-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.29
Rot. Bonds3

About N-(4-nitrophenoxy)cyclohexanimine

N-(4-nitrophenoxy)cyclohexanimine (PubChem CID 2927145) has the molecular formula C12H14N2O3 and a molecular weight of 234.25 g/mol. Its IUPAC name is N-(4-nitrophenoxy)cyclohexanimine.

Molecular Properties

Compound NameN-(4-nitrophenoxy)cyclohexanimine
PubChem CID2927145
Molecular FormulaC12H14N2O3
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC NameN-(4-nitrophenoxy)cyclohexanimine
SMILESO=[N+]([O-])c1ccc(ON=C2CCCCC2)cc1
InChIInChI=1S/C12H14N2O3/c15-14(16)11-6-8-12(9-7-11)17-13-10-4-2-1-3-5-10/h6-9H,1-5H2
InChIKeyCVGURZCSMXENHW-UHFFFAOYSA-N
XLogP3.29
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-nitrophenoxy)cyclohexanimine?
The IUPAC name of N-(4-nitrophenoxy)cyclohexanimine (CID 2927145) is N-(4-nitrophenoxy)cyclohexanimine.
What is the SMILES notation for N-(4-nitrophenoxy)cyclohexanimine?
The canonical SMILES for N-(4-nitrophenoxy)cyclohexanimine is O=[N+]([O-])c1ccc(ON=C2CCCCC2)cc1.
What is the InChIKey of N-(4-nitrophenoxy)cyclohexanimine?
The InChIKey is CVGURZCSMXENHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3/c15-14(16)11-6-8-12(9-7-11)17-13-10-4-2-1-3-5-10/h6-9H,1-5H2.
What are the key properties of N-(4-nitrophenoxy)cyclohexanimine?
N-(4-nitrophenoxy)cyclohexanimine has a molecular weight of 234.25 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-nitrophenoxy)cyclohexanimine is sourced from PubChem (CID 2927145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).