6-iodo-2-(2-methoxyethoxy)-7-methyl-5-oxa-8-azaspiro[3.5]non-6-en-9-one

C11H16INO4 — CID 167003344

IUPAC6-iodo-2-(2-methoxyethoxy)-7-methyl-5-oxa-8-azaspiro[3.5]non-6-en-9-one
SMILESCOCCOC1CC2(C1)OC(I)=C(C)NC2=O
InChIInChI=1S/C11H16INO4/c1-7-9(12)17-11(10(14)13-7)5-8(6-11)16-4-3-15-2/h8H,3-6H2,1-2H3,(H,13,14)
InChIKeyQKGPSAPXNHAFKJ-UHFFFAOYSA-N
MW353.16 g/mol
LogP1.32
Rot. Bonds4

About 6-iodo-2-(2-methoxyethoxy)-7-methyl-5-oxa-8-azaspiro[3.5]non-6-en-9-one

6-iodo-2-(2-methoxyethoxy)-7-methyl-5-oxa-8-azaspiro[3.5]non-6-en-9-one (PubChem CID 167003344) has the molecular formula C11H16INO4 and a molecular weight of 353.16 g/mol. Its IUPAC name is 6-iodo-2-(2-methoxyethoxy)-7-methyl-5-oxa-8-azaspiro[3.5]non-6-en-9-one.

Molecular Properties

Compound Name6-iodo-2-(2-methoxyethoxy)-7-methyl-5-oxa-8-azaspiro[3.5]non-6-en-9-one
PubChem CID167003344
Molecular FormulaC11H16INO4
Molecular Weight353.16 g/mol
Exact Mass353.01
IUPAC Name6-iodo-2-(2-methoxyethoxy)-7-methyl-5-oxa-8-azaspiro[3.5]non-6-en-9-one
SMILESCOCCOC1CC2(C1)OC(I)=C(C)NC2=O
InChIInChI=1S/C11H16INO4/c1-7-9(12)17-11(10(14)13-7)5-8(6-11)16-4-3-15-2/h8H,3-6H2,1-2H3,(H,13,14)
InChIKeyQKGPSAPXNHAFKJ-UHFFFAOYSA-N
XLogP1.32
TPSA56.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.16
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-iodo-2-(2-methoxyethoxy)-7-methyl-5-oxa-8-azaspiro[3.5]non-6-en-9-one?
The IUPAC name of 6-iodo-2-(2-methoxyethoxy)-7-methyl-5-oxa-8-azaspiro[3.5]non-6-en-9-one (CID 167003344) is 6-iodo-2-(2-methoxyethoxy)-7-methyl-5-oxa-8-azaspiro[3.5]non-6-en-9-one.
What is the SMILES notation for 6-iodo-2-(2-methoxyethoxy)-7-methyl-5-oxa-8-azaspiro[3.5]non-6-en-9-one?
The canonical SMILES for 6-iodo-2-(2-methoxyethoxy)-7-methyl-5-oxa-8-azaspiro[3.5]non-6-en-9-one is COCCOC1CC2(C1)OC(I)=C(C)NC2=O.
What is the InChIKey of 6-iodo-2-(2-methoxyethoxy)-7-methyl-5-oxa-8-azaspiro[3.5]non-6-en-9-one?
The InChIKey is QKGPSAPXNHAFKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16INO4/c1-7-9(12)17-11(10(14)13-7)5-8(6-11)16-4-3-15-2/h8H,3-6H2,1-2H3,(H,13,14).
What are the key properties of 6-iodo-2-(2-methoxyethoxy)-7-methyl-5-oxa-8-azaspiro[3.5]non-6-en-9-one?
6-iodo-2-(2-methoxyethoxy)-7-methyl-5-oxa-8-azaspiro[3.5]non-6-en-9-one has a molecular weight of 353.16 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-iodo-2-(2-methoxyethoxy)-7-methyl-5-oxa-8-azaspiro[3.5]non-6-en-9-one is sourced from PubChem (CID 167003344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).