5-iodo-2-nitrosocyclohexan-1-ol

C6H10INO2 — CID 89201132

IUPAC5-iodo-2-nitrosocyclohexan-1-ol
SMILESO=NC1CCC(I)CC1O
InChIInChI=1S/C6H10INO2/c7-4-1-2-5(8-10)6(9)3-4/h4-6,9H,1-3H2
InChIKeyRZRGTAGTWMMIFM-UHFFFAOYSA-N
MW255.05 g/mol
LogP1.47
Rot. Bonds1

About 5-iodo-2-nitrosocyclohexan-1-ol

5-iodo-2-nitrosocyclohexan-1-ol (PubChem CID 89201132) has the molecular formula C6H10INO2 and a molecular weight of 255.05 g/mol. Its IUPAC name is 5-iodo-2-nitrosocyclohexan-1-ol.

Molecular Properties

Compound Name5-iodo-2-nitrosocyclohexan-1-ol
PubChem CID89201132
Molecular FormulaC6H10INO2
Molecular Weight255.05 g/mol
Exact Mass254.98
IUPAC Name5-iodo-2-nitrosocyclohexan-1-ol
SMILESO=NC1CCC(I)CC1O
InChIInChI=1S/C6H10INO2/c7-4-1-2-5(8-10)6(9)3-4/h4-6,9H,1-3H2
InChIKeyRZRGTAGTWMMIFM-UHFFFAOYSA-N
XLogP1.47
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.05
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-iodo-2-nitrosocyclohexan-1-ol?
The IUPAC name of 5-iodo-2-nitrosocyclohexan-1-ol (CID 89201132) is 5-iodo-2-nitrosocyclohexan-1-ol.
What is the SMILES notation for 5-iodo-2-nitrosocyclohexan-1-ol?
The canonical SMILES for 5-iodo-2-nitrosocyclohexan-1-ol is O=NC1CCC(I)CC1O.
What is the InChIKey of 5-iodo-2-nitrosocyclohexan-1-ol?
The InChIKey is RZRGTAGTWMMIFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10INO2/c7-4-1-2-5(8-10)6(9)3-4/h4-6,9H,1-3H2.
What are the key properties of 5-iodo-2-nitrosocyclohexan-1-ol?
5-iodo-2-nitrosocyclohexan-1-ol has a molecular weight of 255.05 g/mol, XLogP of 1.47, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-2-nitrosocyclohexan-1-ol is sourced from PubChem (CID 89201132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).