1-methyl-3,4-diphenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

C22H17NO2 — CID 122187191

IUPAC1-methyl-3,4-diphenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCN1C(=O)C(c2ccccc2)=C(c2ccccc2)C12C=CC(=O)C=C2
InChIInChI=1S/C22H17NO2/c1-23-21(25)19(16-8-4-2-5-9-16)20(17-10-6-3-7-11-17)22(23)14-12-18(24)13-15-22/h2-15H,1H3
InChIKeyWBUWAUKQXYOIAE-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.50
Rot. Bonds2

About 1-methyl-3,4-diphenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione

1-methyl-3,4-diphenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (PubChem CID 122187191) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-methyl-3,4-diphenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.

Molecular Properties

Compound Name1-methyl-3,4-diphenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
PubChem CID122187191
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name1-methyl-3,4-diphenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione
SMILESCN1C(=O)C(c2ccccc2)=C(c2ccccc2)C12C=CC(=O)C=C2
InChIInChI=1S/C22H17NO2/c1-23-21(25)19(16-8-4-2-5-9-16)20(17-10-6-3-7-11-17)22(23)14-12-18(24)13-15-22/h2-15H,1H3
InChIKeyWBUWAUKQXYOIAE-UHFFFAOYSA-N
XLogP3.50
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-methyl-3,4-diphenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3,4-diphenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The IUPAC name of 1-methyl-3,4-diphenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione (CID 122187191) is 1-methyl-3,4-diphenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione.
What is the SMILES notation for 1-methyl-3,4-diphenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The canonical SMILES for 1-methyl-3,4-diphenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is CN1C(=O)C(c2ccccc2)=C(c2ccccc2)C12C=CC(=O)C=C2.
What is the InChIKey of 1-methyl-3,4-diphenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
The InChIKey is WBUWAUKQXYOIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17NO2/c1-23-21(25)19(16-8-4-2-5-9-16)20(17-10-6-3-7-11-17)22(23)14-12-18(24)13-15-22/h2-15H,1H3.
What are the key properties of 1-methyl-3,4-diphenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione?
1-methyl-3,4-diphenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione has a molecular weight of 327.38 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3,4-diphenyl-1-azaspiro[4.5]deca-3,6,9-triene-2,8-dione is sourced from PubChem (CID 122187191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).