1-methoxy-2-nitrosocyclohexane

C7H13NO2 — CID 57035696

IUPAC1-methoxy-2-nitrosocyclohexane
SMILESCOC1CCCCC1N=O
InChIInChI=1S/C7H13NO2/c1-10-7-5-3-2-4-6(7)8-9/h6-7H,2-5H2,1H3
InChIKeyIIOBXEOFUSMGKD-UHFFFAOYSA-N
MW143.19 g/mol
LogP1.71
Rot. Bonds2

About 1-methoxy-2-nitrosocyclohexane

1-methoxy-2-nitrosocyclohexane (PubChem CID 57035696) has the molecular formula C7H13NO2 and a molecular weight of 143.19 g/mol. Its IUPAC name is 1-methoxy-2-nitrosocyclohexane.

Molecular Properties

Compound Name1-methoxy-2-nitrosocyclohexane
PubChem CID57035696
Molecular FormulaC7H13NO2
Molecular Weight143.19 g/mol
Exact Mass143.09
IUPAC Name1-methoxy-2-nitrosocyclohexane
SMILESCOC1CCCCC1N=O
InChIInChI=1S/C7H13NO2/c1-10-7-5-3-2-4-6(7)8-9/h6-7H,2-5H2,1H3
InChIKeyIIOBXEOFUSMGKD-UHFFFAOYSA-N
XLogP1.71
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2-nitrosocyclohexane?
The IUPAC name of 1-methoxy-2-nitrosocyclohexane (CID 57035696) is 1-methoxy-2-nitrosocyclohexane.
What is the SMILES notation for 1-methoxy-2-nitrosocyclohexane?
The canonical SMILES for 1-methoxy-2-nitrosocyclohexane is COC1CCCCC1N=O.
What is the InChIKey of 1-methoxy-2-nitrosocyclohexane?
The InChIKey is IIOBXEOFUSMGKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO2/c1-10-7-5-3-2-4-6(7)8-9/h6-7H,2-5H2,1H3.
What are the key properties of 1-methoxy-2-nitrosocyclohexane?
1-methoxy-2-nitrosocyclohexane has a molecular weight of 143.19 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2-nitrosocyclohexane is sourced from PubChem (CID 57035696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).