3-nitrosocyclohexane-1,2-diol

C6H11NO3 — CID 89288954

IUPAC3-nitrosocyclohexane-1,2-diol
SMILESO=NC1CCCC(O)C1O
InChIInChI=1S/C6H11NO3/c8-5-3-1-2-4(7-10)6(5)9/h4-6,8-9H,1-3H2
InChIKeyHOJMAFUERGQVOP-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.03
Rot. Bonds1

About 3-nitrosocyclohexane-1,2-diol

3-nitrosocyclohexane-1,2-diol (PubChem CID 89288954) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 3-nitrosocyclohexane-1,2-diol.

Molecular Properties

Compound Name3-nitrosocyclohexane-1,2-diol
PubChem CID89288954
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name3-nitrosocyclohexane-1,2-diol
SMILESO=NC1CCCC(O)C1O
InChIInChI=1S/C6H11NO3/c8-5-3-1-2-4(7-10)6(5)9/h4-6,8-9H,1-3H2
InChIKeyHOJMAFUERGQVOP-UHFFFAOYSA-N
XLogP0.03
TPSA69.89 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.16
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-nitrosocyclohexane-1,2-diol?
The IUPAC name of 3-nitrosocyclohexane-1,2-diol (CID 89288954) is 3-nitrosocyclohexane-1,2-diol.
What is the SMILES notation for 3-nitrosocyclohexane-1,2-diol?
The canonical SMILES for 3-nitrosocyclohexane-1,2-diol is O=NC1CCCC(O)C1O.
What is the InChIKey of 3-nitrosocyclohexane-1,2-diol?
The InChIKey is HOJMAFUERGQVOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-5-3-1-2-4(7-10)6(5)9/h4-6,8-9H,1-3H2.
What are the key properties of 3-nitrosocyclohexane-1,2-diol?
3-nitrosocyclohexane-1,2-diol has a molecular weight of 145.16 g/mol, XLogP of 0.03, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitrosocyclohexane-1,2-diol is sourced from PubChem (CID 89288954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).