1,2-diphenyl-2-azaspiro[4.5]decane-3,4,6-trione

C21H19NO3 — CID 10782866

IUPAC1,2-diphenyl-2-azaspiro[4.5]decane-3,4,6-trione
SMILESO=C1C(=O)C2(CCCCC2=O)C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C21H19NO3/c23-17-13-7-8-14-21(17)18(15-9-3-1-4-10-15)22(20(25)19(21)24)16-11-5-2-6-12-16/h1-6,9-12,18H,7-8,13-14H2
InChIKeyXRWCZNIMXLSGOV-UHFFFAOYSA-N
MW333.39 g/mol
LogP3.47
Rot. Bonds2

About 1,2-diphenyl-2-azaspiro[4.5]decane-3,4,6-trione

1,2-diphenyl-2-azaspiro[4.5]decane-3,4,6-trione (PubChem CID 10782866) has the molecular formula C21H19NO3 and a molecular weight of 333.39 g/mol. Its IUPAC name is 1,2-diphenyl-2-azaspiro[4.5]decane-3,4,6-trione.

Molecular Properties

Compound Name1,2-diphenyl-2-azaspiro[4.5]decane-3,4,6-trione
PubChem CID10782866
Molecular FormulaC21H19NO3
Molecular Weight333.39 g/mol
Exact Mass333.14
IUPAC Name1,2-diphenyl-2-azaspiro[4.5]decane-3,4,6-trione
SMILESO=C1C(=O)C2(CCCCC2=O)C(c2ccccc2)N1c1ccccc1
InChIInChI=1S/C21H19NO3/c23-17-13-7-8-14-21(17)18(15-9-3-1-4-10-15)22(20(25)19(21)24)16-11-5-2-6-12-16/h1-6,9-12,18H,7-8,13-14H2
InChIKeyXRWCZNIMXLSGOV-UHFFFAOYSA-N
XLogP3.47
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-diphenyl-2-azaspiro[4.5]decane-3,4,6-trione?
The IUPAC name of 1,2-diphenyl-2-azaspiro[4.5]decane-3,4,6-trione (CID 10782866) is 1,2-diphenyl-2-azaspiro[4.5]decane-3,4,6-trione.
What is the SMILES notation for 1,2-diphenyl-2-azaspiro[4.5]decane-3,4,6-trione?
The canonical SMILES for 1,2-diphenyl-2-azaspiro[4.5]decane-3,4,6-trione is O=C1C(=O)C2(CCCCC2=O)C(c2ccccc2)N1c1ccccc1.
What is the InChIKey of 1,2-diphenyl-2-azaspiro[4.5]decane-3,4,6-trione?
The InChIKey is XRWCZNIMXLSGOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO3/c23-17-13-7-8-14-21(17)18(15-9-3-1-4-10-15)22(20(25)19(21)24)16-11-5-2-6-12-16/h1-6,9-12,18H,7-8,13-14H2.
What are the key properties of 1,2-diphenyl-2-azaspiro[4.5]decane-3,4,6-trione?
1,2-diphenyl-2-azaspiro[4.5]decane-3,4,6-trione has a molecular weight of 333.39 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diphenyl-2-azaspiro[4.5]decane-3,4,6-trione is sourced from PubChem (CID 10782866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).