cis-(1S,2R)-2-nitrosocyclohexan-1-ol

C6H11NO2 — CID 89395534

IUPACcis-(1S,2R)-2-nitrosocyclohexan-1-ol
SMILESO=N[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C6H11NO2/c8-6-4-2-1-3-5(6)7-9/h5-6,8H,1-4H2/t5-,6+/m1/s1
InChIKeyYFXOHDNWLYAISP-RITPCOANSA-N
MW129.16 g/mol
LogP1.06
Rot. Bonds1

About cis-(1S,2R)-2-nitrosocyclohexan-1-ol

cis-(1S,2R)-2-nitrosocyclohexan-1-ol (PubChem CID 89395534) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is cis-(1S,2R)-2-nitrosocyclohexan-1-ol.

Molecular Properties

Compound Namecis-(1S,2R)-2-nitrosocyclohexan-1-ol
PubChem CID89395534
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Namecis-(1S,2R)-2-nitrosocyclohexan-1-ol
SMILESO=N[C@@H]1CCCC[C@@H]1O
InChIInChI=1S/C6H11NO2/c8-6-4-2-1-3-5(6)7-9/h5-6,8H,1-4H2/t5-,6+/m1/s1
InChIKeyYFXOHDNWLYAISP-RITPCOANSA-N
XLogP1.06
TPSA49.66 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 ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-2-nitrosocyclohexan-1-ol?
The IUPAC name of cis-(1S,2R)-2-nitrosocyclohexan-1-ol (CID 89395534) is cis-(1S,2R)-2-nitrosocyclohexan-1-ol.
What is the SMILES notation for cis-(1S,2R)-2-nitrosocyclohexan-1-ol?
The canonical SMILES for cis-(1S,2R)-2-nitrosocyclohexan-1-ol is O=N[C@@H]1CCCC[C@@H]1O.
What is the InChIKey of cis-(1S,2R)-2-nitrosocyclohexan-1-ol?
The InChIKey is YFXOHDNWLYAISP-RITPCOANSA-N. The full InChI is InChI=1S/C6H11NO2/c8-6-4-2-1-3-5(6)7-9/h5-6,8H,1-4H2/t5-,6+/m1/s1.
What are the key properties of cis-(1S,2R)-2-nitrosocyclohexan-1-ol?
cis-(1S,2R)-2-nitrosocyclohexan-1-ol has a molecular weight of 129.16 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-2-nitrosocyclohexan-1-ol is sourced from PubChem (CID 89395534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).