2-oxo-1-aza-2-azoniaspiro[4.4]nonan-8-one

C7H11N2O2+ — CID 22158811

IUPAC2-oxo-1-aza-2-azoniaspiro[4.4]nonan-8-one
SMILESO=C1CCC2(CC[N+](=O)N2)C1
InChIInChI=1S/C7H11N2O2/c10-6-1-2-7(5-6)3-4-9(11)8-7/h1-5H2,(H,8,11)/q+1
InChIKeyCHSZCCITRJPLAV-UHFFFAOYSA-N
MW155.18 g/mol
LogP0.17
Rot. Bonds

About 2-oxo-1-aza-2-azoniaspiro[4.4]nonan-8-one

2-oxo-1-aza-2-azoniaspiro[4.4]nonan-8-one (PubChem CID 22158811) has the molecular formula C7H11N2O2+ and a molecular weight of 155.18 g/mol. Its IUPAC name is 2-oxo-1-aza-2-azoniaspiro[4.4]nonan-8-one.

Molecular Properties

Compound Name2-oxo-1-aza-2-azoniaspiro[4.4]nonan-8-one
PubChem CID22158811
Molecular FormulaC7H11N2O2+
Molecular Weight155.18 g/mol
Exact Mass155.08
IUPAC Name2-oxo-1-aza-2-azoniaspiro[4.4]nonan-8-one
SMILESO=C1CCC2(CC[N+](=O)N2)C1
InChIInChI=1S/C7H11N2O2/c10-6-1-2-7(5-6)3-4-9(11)8-7/h1-5H2,(H,8,11)/q+1
InChIKeyCHSZCCITRJPLAV-UHFFFAOYSA-N
XLogP0.17
TPSA49.18 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.18
LogP ≤ 50.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-nitroso', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxo-1-aza-2-azoniaspiro[4.4]nonan-8-one?
The IUPAC name of 2-oxo-1-aza-2-azoniaspiro[4.4]nonan-8-one (CID 22158811) is 2-oxo-1-aza-2-azoniaspiro[4.4]nonan-8-one.
What is the SMILES notation for 2-oxo-1-aza-2-azoniaspiro[4.4]nonan-8-one?
The canonical SMILES for 2-oxo-1-aza-2-azoniaspiro[4.4]nonan-8-one is O=C1CCC2(CC[N+](=O)N2)C1.
What is the InChIKey of 2-oxo-1-aza-2-azoniaspiro[4.4]nonan-8-one?
The InChIKey is CHSZCCITRJPLAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N2O2/c10-6-1-2-7(5-6)3-4-9(11)8-7/h1-5H2,(H,8,11)/q+1.
What are the key properties of 2-oxo-1-aza-2-azoniaspiro[4.4]nonan-8-one?
2-oxo-1-aza-2-azoniaspiro[4.4]nonan-8-one has a molecular weight of 155.18 g/mol, XLogP of 0.17, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-1-aza-2-azoniaspiro[4.4]nonan-8-one is sourced from PubChem (CID 22158811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).