N-(2-nitrophenoxy)cycloheptanimine

C13H16N2O3 — CID 54392329

IUPACN-(2-nitrophenoxy)cycloheptanimine
SMILESO=[N+]([O-])c1ccccc1ON=C1CCCCCC1
InChIInChI=1S/C13H16N2O3/c16-15(17)12-9-5-6-10-13(12)18-14-11-7-3-1-2-4-8-11/h5-6,9-10H,1-4,7-8H2
InChIKeyVHNCHYQAYWKVOT-UHFFFAOYSA-N
MW248.28 g/mol
LogP3.68
Rot. Bonds3

About N-(2-nitrophenoxy)cycloheptanimine

N-(2-nitrophenoxy)cycloheptanimine (PubChem CID 54392329) has the molecular formula C13H16N2O3 and a molecular weight of 248.28 g/mol. Its IUPAC name is N-(2-nitrophenoxy)cycloheptanimine.

Molecular Properties

Compound NameN-(2-nitrophenoxy)cycloheptanimine
PubChem CID54392329
Molecular FormulaC13H16N2O3
Molecular Weight248.28 g/mol
Exact Mass248.12
IUPAC NameN-(2-nitrophenoxy)cycloheptanimine
SMILESO=[N+]([O-])c1ccccc1ON=C1CCCCCC1
InChIInChI=1S/C13H16N2O3/c16-15(17)12-9-5-6-10-13(12)18-14-11-7-3-1-2-4-8-11/h5-6,9-10H,1-4,7-8H2
InChIKeyVHNCHYQAYWKVOT-UHFFFAOYSA-N
XLogP3.68
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.28
LogP ≤ 53.68
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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Related Compounds

N-(cyclododecylideneamino)-2-(2-nitrophenoxy)acetamide
CID 4569271
N-(cyclooctylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467129
N-(cyclohexylideneamino)-2-(2-nitrophenoxy)acetamide
CID 9467120
1-nitro-2-(2-nitrophenyl)peroxybenzene
CID 151853711
1-azidooxy-2-nitrobenzene
CID 134977485
CID 174580034
CID 174580034
(Z,2S,5S)-1,2,5-trimethyl-N-(2-nitrophenoxy)piperidin-4-imine
CID 7427531
N-(cyclododecylideneamino)-5-[(2-nitrophenoxy)methyl]furan-2-carboxamide
CID 5243847
1,2,5-trimethyl-N-(2-nitrophenoxy)piperidin-4-imine chloride
CID 53350683
ethane;1-methyl-2-(2-nitrophenoxy)benzene
CID 90780994
2-(2-nitrophenoxy)-N-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylideneamino]acetamide
CID 2847875
1-nitro-2-[2-[2-(2-nitrophenoxy)ethoxy]ethoxy]benzene
CID 2748735

Frequently Asked Questions

What is the IUPAC name of N-(2-nitrophenoxy)cycloheptanimine?
The IUPAC name of N-(2-nitrophenoxy)cycloheptanimine (CID 54392329) is N-(2-nitrophenoxy)cycloheptanimine.
What is the SMILES notation for N-(2-nitrophenoxy)cycloheptanimine?
The canonical SMILES for N-(2-nitrophenoxy)cycloheptanimine is O=[N+]([O-])c1ccccc1ON=C1CCCCCC1.
What is the InChIKey of N-(2-nitrophenoxy)cycloheptanimine?
The InChIKey is VHNCHYQAYWKVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O3/c16-15(17)12-9-5-6-10-13(12)18-14-11-7-3-1-2-4-8-11/h5-6,9-10H,1-4,7-8H2.
What are the key properties of N-(2-nitrophenoxy)cycloheptanimine?
N-(2-nitrophenoxy)cycloheptanimine has a molecular weight of 248.28 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-nitrophenoxy)cycloheptanimine is sourced from PubChem (CID 54392329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).