2-aminooxycyclohexan-1-one

C6H11NO2 — CID 105427426

IUPAC2-aminooxycyclohexan-1-one
SMILESNOC1CCCCC1=O
InChIInChI=1S/C6H11NO2/c7-9-6-4-2-1-3-5(6)8/h6H,1-4,7H2
InChIKeyIHSXLPONUXHNHE-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.39
Rot. Bonds1

About 2-aminooxycyclohexan-1-one

2-aminooxycyclohexan-1-one (PubChem CID 105427426) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-aminooxycyclohexan-1-one.

Molecular Properties

Compound Name2-aminooxycyclohexan-1-one
PubChem CID105427426
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-aminooxycyclohexan-1-one
SMILESNOC1CCCCC1=O
InChIInChI=1S/C6H11NO2/c7-9-6-4-2-1-3-5(6)8/h6H,1-4,7H2
InChIKeyIHSXLPONUXHNHE-UHFFFAOYSA-N
XLogP0.39
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-aminooxycyclohexan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Hydroperoxycyclohexan-1-one
CID 12910588
2-(Nitrooxy)cyclohexanone
CID 14486917
2-Oxocyclohexan-1-olate
CID 60161401
4-Aminooxycyclohexan-1-one
CID 68027706
[(1S)-2-oxocyclohexyl] hypoiodite
CID 71196011
2-Methylperoxycyclohexan-1-one
CID 171834033
Azane;2-hydroxycyclohexan-1-one
CID 174428063
Azanylidyneoxidanium;(2-oxocyclohexyl) sulfate
CID 10933076
CID 177496499
CID 177496499
(2R)-2-aminooxycyclohexan-1-one
CID 177510671

Frequently Asked Questions

What is the IUPAC name of 2-aminooxycyclohexan-1-one?
The IUPAC name of 2-aminooxycyclohexan-1-one (CID 105427426) is 2-aminooxycyclohexan-1-one.
What is the SMILES notation for 2-aminooxycyclohexan-1-one?
The canonical SMILES for 2-aminooxycyclohexan-1-one is NOC1CCCCC1=O.
What is the InChIKey of 2-aminooxycyclohexan-1-one?
The InChIKey is IHSXLPONUXHNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c7-9-6-4-2-1-3-5(6)8/h6H,1-4,7H2.
What are the key properties of 2-aminooxycyclohexan-1-one?
2-aminooxycyclohexan-1-one has a molecular weight of 129.16 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-aminooxycyclohexan-1-one is sourced from PubChem (CID 105427426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).