2-(4-iodophenyl)-2-azaspiro[4.4]nonane-1,3-dione

C14H14INO2 — CID 2796219

IUPAC2-(4-iodophenyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C14H14INO2/c15-10-3-5-11(6-4-10)16-12(17)9-14(13(16)18)7-1-2-8-14/h3-6H,1-2,7-9H2
InChIKeyQSXQVGDQRZXDBV-UHFFFAOYSA-N
MW355.18 g/mol
LogP3.11
Rot. Bonds1

About 2-(4-iodophenyl)-2-azaspiro[4.4]nonane-1,3-dione

2-(4-iodophenyl)-2-azaspiro[4.4]nonane-1,3-dione (PubChem CID 2796219) has the molecular formula C14H14INO2 and a molecular weight of 355.18 g/mol. Its IUPAC name is 2-(4-iodophenyl)-2-azaspiro[4.4]nonane-1,3-dione.

Molecular Properties

Compound Name2-(4-iodophenyl)-2-azaspiro[4.4]nonane-1,3-dione
PubChem CID2796219
Molecular FormulaC14H14INO2
Molecular Weight355.18 g/mol
Exact Mass355.01
IUPAC Name2-(4-iodophenyl)-2-azaspiro[4.4]nonane-1,3-dione
SMILESO=C1CC2(CCCC2)C(=O)N1c1ccc(I)cc1
InChIInChI=1S/C14H14INO2/c15-10-3-5-11(6-4-10)16-12(17)9-14(13(16)18)7-1-2-8-14/h3-6H,1-2,7-9H2
InChIKeyQSXQVGDQRZXDBV-UHFFFAOYSA-N
XLogP3.11
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.18
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Succinanil
CID 66519
N-(4-Methylphenyl)succinimide
CID 75335
Stk246934
CID 300678
1-(3-Methylphenyl)pyrrolidine-2,5-dione
CID 5150707
8-Phenyl-8-azaspiro[4.5]decane-7,9-dione
CID 1552638
Succinimide, 2-benzyl-N-phenyl-
CID 622117
N-(O-Tolyl)succinimide
CID 4575629
N-(4-Iodophenyl)succinimide
CID 265739
2-Phenyl-3a,3b,4,5,6,7,8,9,9a,9b-decahydro-1H-dicyclopenta[e,g]isoindole-1,3(2H)-dione
CID 583938
2-(4-fluorophenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
CID 2732287
3-Methyl-1,3-diphenylpyrrolidine-2,5-dione
CID 201239
1H-Isoindole-1,3(2H)-dione, 3a,4,7,7a-tetrahydro-2-phenyl-
CID 2843508

Frequently Asked Questions

What is the IUPAC name of 2-(4-iodophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The IUPAC name of 2-(4-iodophenyl)-2-azaspiro[4.4]nonane-1,3-dione (CID 2796219) is 2-(4-iodophenyl)-2-azaspiro[4.4]nonane-1,3-dione.
What is the SMILES notation for 2-(4-iodophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The canonical SMILES for 2-(4-iodophenyl)-2-azaspiro[4.4]nonane-1,3-dione is O=C1CC2(CCCC2)C(=O)N1c1ccc(I)cc1.
What is the InChIKey of 2-(4-iodophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
The InChIKey is QSXQVGDQRZXDBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14INO2/c15-10-3-5-11(6-4-10)16-12(17)9-14(13(16)18)7-1-2-8-14/h3-6H,1-2,7-9H2.
What are the key properties of 2-(4-iodophenyl)-2-azaspiro[4.4]nonane-1,3-dione?
2-(4-iodophenyl)-2-azaspiro[4.4]nonane-1,3-dione has a molecular weight of 355.18 g/mol, XLogP of 3.11, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-iodophenyl)-2-azaspiro[4.4]nonane-1,3-dione is sourced from PubChem (CID 2796219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).