7-azabicyclo[4.1.0]heptan-7-yl-(4-nitrosophenyl)methanone

C13H14N2O2 — CID 89208246

IUPAC7-azabicyclo[4.1.0]heptan-7-yl-(4-nitrosophenyl)methanone
SMILESO=Nc1ccc(C(=O)N2C3CCCCC32)cc1
InChIInChI=1S/C13H14N2O2/c16-13(9-5-7-10(14-17)8-6-9)15-11-3-1-2-4-12(11)15/h5-8,11-12H,1-4H2
InChIKeyZEOOOJMLJSXMNA-UHFFFAOYSA-N
MW230.27 g/mol
LogP2.85
Rot. Bonds2

About 7-azabicyclo[4.1.0]heptan-7-yl-(4-nitrosophenyl)methanone

7-azabicyclo[4.1.0]heptan-7-yl-(4-nitrosophenyl)methanone (PubChem CID 89208246) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is 7-azabicyclo[4.1.0]heptan-7-yl-(4-nitrosophenyl)methanone.

Molecular Properties

Compound Name7-azabicyclo[4.1.0]heptan-7-yl-(4-nitrosophenyl)methanone
PubChem CID89208246
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC Name7-azabicyclo[4.1.0]heptan-7-yl-(4-nitrosophenyl)methanone
SMILESO=Nc1ccc(C(=O)N2C3CCCCC32)cc1
InChIInChI=1S/C13H14N2O2/c16-13(9-5-7-10(14-17)8-6-9)15-11-3-1-2-4-12(11)15/h5-8,11-12H,1-4H2
InChIKeyZEOOOJMLJSXMNA-UHFFFAOYSA-N
XLogP2.85
TPSA49.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-azabicyclo[4.1.0]heptan-7-yl-(4-nitrosophenyl)methanone?
The IUPAC name of 7-azabicyclo[4.1.0]heptan-7-yl-(4-nitrosophenyl)methanone (CID 89208246) is 7-azabicyclo[4.1.0]heptan-7-yl-(4-nitrosophenyl)methanone.
What is the SMILES notation for 7-azabicyclo[4.1.0]heptan-7-yl-(4-nitrosophenyl)methanone?
The canonical SMILES for 7-azabicyclo[4.1.0]heptan-7-yl-(4-nitrosophenyl)methanone is O=Nc1ccc(C(=O)N2C3CCCCC32)cc1.
What is the InChIKey of 7-azabicyclo[4.1.0]heptan-7-yl-(4-nitrosophenyl)methanone?
The InChIKey is ZEOOOJMLJSXMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c16-13(9-5-7-10(14-17)8-6-9)15-11-3-1-2-4-12(11)15/h5-8,11-12H,1-4H2.
What are the key properties of 7-azabicyclo[4.1.0]heptan-7-yl-(4-nitrosophenyl)methanone?
7-azabicyclo[4.1.0]heptan-7-yl-(4-nitrosophenyl)methanone has a molecular weight of 230.27 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-azabicyclo[4.1.0]heptan-7-yl-(4-nitrosophenyl)methanone is sourced from PubChem (CID 89208246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).