7-nitroso-7-azabicyclo[4.2.0]octan-8-one

C7H10N2O2 — CID 87066650

IUPAC7-nitroso-7-azabicyclo[4.2.0]octan-8-one
SMILESO=NN1C(=O)C2CCCCC21
InChIInChI=1S/C7H10N2O2/c10-7-5-3-1-2-4-6(5)9(7)8-11/h5-6H,1-4H2
InChIKeyFJEYKNXVCALLDI-UHFFFAOYSA-N
MW154.17 g/mol
LogP1.07
Rot. Bonds1

About 7-nitroso-7-azabicyclo[4.2.0]octan-8-one

7-nitroso-7-azabicyclo[4.2.0]octan-8-one (PubChem CID 87066650) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 7-nitroso-7-azabicyclo[4.2.0]octan-8-one.

Molecular Properties

Compound Name7-nitroso-7-azabicyclo[4.2.0]octan-8-one
PubChem CID87066650
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name7-nitroso-7-azabicyclo[4.2.0]octan-8-one
SMILESO=NN1C(=O)C2CCCCC21
InChIInChI=1S/C7H10N2O2/c10-7-5-3-1-2-4-6(5)9(7)8-11/h5-6H,1-4H2
InChIKeyFJEYKNXVCALLDI-UHFFFAOYSA-N
XLogP1.07
TPSA49.74 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-nitroso-7-azabicyclo[4.2.0]octan-8-one?
The IUPAC name of 7-nitroso-7-azabicyclo[4.2.0]octan-8-one (CID 87066650) is 7-nitroso-7-azabicyclo[4.2.0]octan-8-one.
What is the SMILES notation for 7-nitroso-7-azabicyclo[4.2.0]octan-8-one?
The canonical SMILES for 7-nitroso-7-azabicyclo[4.2.0]octan-8-one is O=NN1C(=O)C2CCCCC21.
What is the InChIKey of 7-nitroso-7-azabicyclo[4.2.0]octan-8-one?
The InChIKey is FJEYKNXVCALLDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c10-7-5-3-1-2-4-6(5)9(7)8-11/h5-6H,1-4H2.
What are the key properties of 7-nitroso-7-azabicyclo[4.2.0]octan-8-one?
7-nitroso-7-azabicyclo[4.2.0]octan-8-one has a molecular weight of 154.17 g/mol, XLogP of 1.07, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-nitroso-7-azabicyclo[4.2.0]octan-8-one is sourced from PubChem (CID 87066650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).