7-iodo-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

C6H9IN2O2 — CID 138702179

IUPAC7-iodo-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1NCC2(CCN(I)C2)O1
InChIInChI=1S/C6H9IN2O2/c7-9-2-1-6(4-9)3-8-5(10)11-6/h1-4H2,(H,8,10)
InChIKeyADVLAPLIWGNWAP-UHFFFAOYSA-N
MW268.05 g/mol
LogP0.52
Rot. Bonds

About 7-iodo-1-oxa-3,7-diazaspiro[4.4]nonan-2-one

7-iodo-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (PubChem CID 138702179) has the molecular formula C6H9IN2O2 and a molecular weight of 268.05 g/mol. Its IUPAC name is 7-iodo-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.

Molecular Properties

Compound Name7-iodo-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
PubChem CID138702179
Molecular FormulaC6H9IN2O2
Molecular Weight268.05 g/mol
Exact Mass267.97
IUPAC Name7-iodo-1-oxa-3,7-diazaspiro[4.4]nonan-2-one
SMILESO=C1NCC2(CCN(I)C2)O1
InChIInChI=1S/C6H9IN2O2/c7-9-2-1-6(4-9)3-8-5(10)11-6/h1-4H2,(H,8,10)
InChIKeyADVLAPLIWGNWAP-UHFFFAOYSA-N
XLogP0.52
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.05
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-iodo-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The IUPAC name of 7-iodo-1-oxa-3,7-diazaspiro[4.4]nonan-2-one (CID 138702179) is 7-iodo-1-oxa-3,7-diazaspiro[4.4]nonan-2-one.
What is the SMILES notation for 7-iodo-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The canonical SMILES for 7-iodo-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is O=C1NCC2(CCN(I)C2)O1.
What is the InChIKey of 7-iodo-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
The InChIKey is ADVLAPLIWGNWAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9IN2O2/c7-9-2-1-6(4-9)3-8-5(10)11-6/h1-4H2,(H,8,10).
What are the key properties of 7-iodo-1-oxa-3,7-diazaspiro[4.4]nonan-2-one?
7-iodo-1-oxa-3,7-diazaspiro[4.4]nonan-2-one has a molecular weight of 268.05 g/mol, XLogP of 0.52, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-iodo-1-oxa-3,7-diazaspiro[4.4]nonan-2-one is sourced from PubChem (CID 138702179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).