2-nitrosocyclohexane-1,3-diol

C6H11NO3 — CID 89058402

IUPAC2-nitrosocyclohexane-1,3-diol
SMILESO=NC1C(O)CCCC1O
InChIInChI=1S/C6H11NO3/c8-4-2-1-3-5(9)6(4)7-10/h4-6,8-9H,1-3H2
InChIKeyHUVNMGLDMYRADG-UHFFFAOYSA-N
MW145.16 g/mol
LogP0.03
Rot. Bonds1

About 2-nitrosocyclohexane-1,3-diol

2-nitrosocyclohexane-1,3-diol (PubChem CID 89058402) has the molecular formula C6H11NO3 and a molecular weight of 145.16 g/mol. Its IUPAC name is 2-nitrosocyclohexane-1,3-diol.

Molecular Properties

Compound Name2-nitrosocyclohexane-1,3-diol
PubChem CID89058402
Molecular FormulaC6H11NO3
Molecular Weight145.16 g/mol
Exact Mass145.07
IUPAC Name2-nitrosocyclohexane-1,3-diol
SMILESO=NC1C(O)CCCC1O
InChIInChI=1S/C6H11NO3/c8-4-2-1-3-5(9)6(4)7-10/h4-6,8-9H,1-3H2
InChIKeyHUVNMGLDMYRADG-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 2-nitrosocyclohexane-1,3-diol?
The IUPAC name of 2-nitrosocyclohexane-1,3-diol (CID 89058402) is 2-nitrosocyclohexane-1,3-diol.
What is the SMILES notation for 2-nitrosocyclohexane-1,3-diol?
The canonical SMILES for 2-nitrosocyclohexane-1,3-diol is O=NC1C(O)CCCC1O.
What is the InChIKey of 2-nitrosocyclohexane-1,3-diol?
The InChIKey is HUVNMGLDMYRADG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO3/c8-4-2-1-3-5(9)6(4)7-10/h4-6,8-9H,1-3H2.
What are the key properties of 2-nitrosocyclohexane-1,3-diol?
2-nitrosocyclohexane-1,3-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 2-nitrosocyclohexane-1,3-diol is sourced from PubChem (CID 89058402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).