4-hydroxy-3-(4-iodo-2,6-dimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one

C17H20INO2 — CID 59142003

IUPAC4-hydroxy-3-(4-iodo-2,6-dimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCc1cc(I)cc(C)c1C1=C(O)C2(CCCCC2)NC1=O
InChIInChI=1S/C17H20INO2/c1-10-8-12(18)9-11(2)13(10)14-15(20)17(19-16(14)21)6-4-3-5-7-17/h8-9,20H,3-7H2,1-2H3,(H,19,21)
InChIKeyUCHHWPSQIXFRPG-UHFFFAOYSA-N
MW397.26 g/mol
LogP4.01
Rot. Bonds1

About 4-hydroxy-3-(4-iodo-2,6-dimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one

4-hydroxy-3-(4-iodo-2,6-dimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one (PubChem CID 59142003) has the molecular formula C17H20INO2 and a molecular weight of 397.26 g/mol. Its IUPAC name is 4-hydroxy-3-(4-iodo-2,6-dimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one.

Molecular Properties

Compound Name4-hydroxy-3-(4-iodo-2,6-dimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
PubChem CID59142003
Molecular FormulaC17H20INO2
Molecular Weight397.26 g/mol
Exact Mass397.05
IUPAC Name4-hydroxy-3-(4-iodo-2,6-dimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one
SMILESCc1cc(I)cc(C)c1C1=C(O)C2(CCCCC2)NC1=O
InChIInChI=1S/C17H20INO2/c1-10-8-12(18)9-11(2)13(10)14-15(20)17(19-16(14)21)6-4-3-5-7-17/h8-9,20H,3-7H2,1-2H3,(H,19,21)
InChIKeyUCHHWPSQIXFRPG-UHFFFAOYSA-N
XLogP4.01
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.26
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-(4-iodo-2,6-dimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
The IUPAC name of 4-hydroxy-3-(4-iodo-2,6-dimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one (CID 59142003) is 4-hydroxy-3-(4-iodo-2,6-dimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one.
What is the SMILES notation for 4-hydroxy-3-(4-iodo-2,6-dimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
The canonical SMILES for 4-hydroxy-3-(4-iodo-2,6-dimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one is Cc1cc(I)cc(C)c1C1=C(O)C2(CCCCC2)NC1=O.
What is the InChIKey of 4-hydroxy-3-(4-iodo-2,6-dimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
The InChIKey is UCHHWPSQIXFRPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20INO2/c1-10-8-12(18)9-11(2)13(10)14-15(20)17(19-16(14)21)6-4-3-5-7-17/h8-9,20H,3-7H2,1-2H3,(H,19,21).
What are the key properties of 4-hydroxy-3-(4-iodo-2,6-dimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one?
4-hydroxy-3-(4-iodo-2,6-dimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one has a molecular weight of 397.26 g/mol, XLogP of 4.01, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-(4-iodo-2,6-dimethylphenyl)-1-azaspiro[4.5]dec-3-en-2-one is sourced from PubChem (CID 59142003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).