2-azaspiro[4.4]nonane-8-carbonyl iodide

C9H14INO — CID 171847077

IUPAC2-azaspiro[4.4]nonane-8-carbonyl iodide
SMILESO=C(I)C1CCC2(CCNC2)C1
InChIInChI=1S/C9H14INO/c10-8(12)7-1-2-9(5-7)3-4-11-6-9/h7,11H,1-6H2
InChIKeyABBYOPUZIJWZAY-UHFFFAOYSA-N
MW279.12 g/mol
LogP1.73
Rot. Bonds1

About 2-azaspiro[4.4]nonane-8-carbonyl iodide

2-azaspiro[4.4]nonane-8-carbonyl iodide (PubChem CID 171847077) has the molecular formula C9H14INO and a molecular weight of 279.12 g/mol. Its IUPAC name is 2-azaspiro[4.4]nonane-8-carbonyl iodide.

Molecular Properties

Compound Name2-azaspiro[4.4]nonane-8-carbonyl iodide
PubChem CID171847077
Molecular FormulaC9H14INO
Molecular Weight279.12 g/mol
Exact Mass279.01
IUPAC Name2-azaspiro[4.4]nonane-8-carbonyl iodide
SMILESO=C(I)C1CCC2(CCNC2)C1
InChIInChI=1S/C9H14INO/c10-8(12)7-1-2-9(5-7)3-4-11-6-9/h7,11H,1-6H2
InChIKeyABBYOPUZIJWZAY-UHFFFAOYSA-N
XLogP1.73
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.12
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(2-Azaspiro[4.4]nonan-8-yl)ethanone
CID 175631786
2-Azaspiro[4.4]nonane-8-carboxamide
CID 84074311

Frequently Asked Questions

What is the IUPAC name of 2-azaspiro[4.4]nonane-8-carbonyl iodide?
The IUPAC name of 2-azaspiro[4.4]nonane-8-carbonyl iodide (CID 171847077) is 2-azaspiro[4.4]nonane-8-carbonyl iodide.
What is the SMILES notation for 2-azaspiro[4.4]nonane-8-carbonyl iodide?
The canonical SMILES for 2-azaspiro[4.4]nonane-8-carbonyl iodide is O=C(I)C1CCC2(CCNC2)C1.
What is the InChIKey of 2-azaspiro[4.4]nonane-8-carbonyl iodide?
The InChIKey is ABBYOPUZIJWZAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14INO/c10-8(12)7-1-2-9(5-7)3-4-11-6-9/h7,11H,1-6H2.
What are the key properties of 2-azaspiro[4.4]nonane-8-carbonyl iodide?
2-azaspiro[4.4]nonane-8-carbonyl iodide has a molecular weight of 279.12 g/mol, XLogP of 1.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azaspiro[4.4]nonane-8-carbonyl iodide is sourced from PubChem (CID 171847077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).