2-hydroxyiminocyclohexan-1-ol

C6H11NO2 — CID 85385288

IUPAC2-hydroxyiminocyclohexan-1-ol
SMILESON=C1CCCCC1O
InChIInChI=1S/C6H11NO2/c8-6-4-2-1-3-5(6)7-9/h6,8-9H,1-4H2
InChIKeyXIRFCTIUDYUXOF-UHFFFAOYSA-N
MW129.16 g/mol
LogP0.75
Rot. Bonds

About 2-hydroxyiminocyclohexan-1-ol

2-hydroxyiminocyclohexan-1-ol (PubChem CID 85385288) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 2-hydroxyiminocyclohexan-1-ol.

Molecular Properties

Compound Name2-hydroxyiminocyclohexan-1-ol
PubChem CID85385288
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name2-hydroxyiminocyclohexan-1-ol
SMILESON=C1CCCCC1O
InChIInChI=1S/C6H11NO2/c8-6-4-2-1-3-5(6)7-9/h6,8-9H,1-4H2
InChIKeyXIRFCTIUDYUXOF-UHFFFAOYSA-N
XLogP0.75
TPSA52.82 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 2-hydroxyiminocyclohexan-1-ol?
The IUPAC name of 2-hydroxyiminocyclohexan-1-ol (CID 85385288) is 2-hydroxyiminocyclohexan-1-ol.
What is the SMILES notation for 2-hydroxyiminocyclohexan-1-ol?
The canonical SMILES for 2-hydroxyiminocyclohexan-1-ol is ON=C1CCCCC1O.
What is the InChIKey of 2-hydroxyiminocyclohexan-1-ol?
The InChIKey is XIRFCTIUDYUXOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c8-6-4-2-1-3-5(6)7-9/h6,8-9H,1-4H2.
What are the key properties of 2-hydroxyiminocyclohexan-1-ol?
2-hydroxyiminocyclohexan-1-ol has a molecular weight of 129.16 g/mol, XLogP of 0.75, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxyiminocyclohexan-1-ol is sourced from PubChem (CID 85385288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).