(1R,5S,6R)-3-methyl-1,5,6-triphenylspiro[3-azabicyclo[3.1.0]hexane-2,2'-indene]-1',3'-dione

C32H25NO2 — CID 162403952

IUPAC(1R,5S,6R)-3-methyl-1,5,6-triphenylspiro[3-azabicyclo[3.1.0]hexane-2,2'-indene]-1',3'-dione
SMILESCN1C[C@]2(c3ccccc3)[C@@H](c3ccccc3)[C@]2(c2ccccc2)C12C(=O)c1ccccc1C2=O
InChIInChI=1S/C32H25NO2/c1-33-21-30(23-15-7-3-8-16-23)27(22-13-5-2-6-14-22)31(30,24-17-9-4-10-18-24)32(33)28(34)25-19-11-12-20-26(25)29(32)35/h2-20,27H,21H2,1H3/t27-,30+,31+/m1/s1
InChIKeyMSEIMBDLFXDQNI-RDAHNBDFSA-N
MW455.56 g/mol
LogP5.42
Rot. Bonds3

About (1R,5S,6R)-3-methyl-1,5,6-triphenylspiro[3-azabicyclo[3.1.0]hexane-2,2'-indene]-1',3'-dione

(1R,5S,6R)-3-methyl-1,5,6-triphenylspiro[3-azabicyclo[3.1.0]hexane-2,2'-indene]-1',3'-dione (PubChem CID 162403952) has the molecular formula C32H25NO2 and a molecular weight of 455.56 g/mol. Its IUPAC name is (1R,5S,6R)-3-methyl-1,5,6-triphenylspiro[3-azabicyclo[3.1.0]hexane-2,2'-indene]-1',3'-dione.

Molecular Properties

Compound Name(1R,5S,6R)-3-methyl-1,5,6-triphenylspiro[3-azabicyclo[3.1.0]hexane-2,2'-indene]-1',3'-dione
PubChem CID162403952
Molecular FormulaC32H25NO2
Molecular Weight455.56 g/mol
Exact Mass455.19
IUPAC Name(1R,5S,6R)-3-methyl-1,5,6-triphenylspiro[3-azabicyclo[3.1.0]hexane-2,2'-indene]-1',3'-dione
SMILESCN1C[C@]2(c3ccccc3)[C@@H](c3ccccc3)[C@]2(c2ccccc2)C12C(=O)c1ccccc1C2=O
InChIInChI=1S/C32H25NO2/c1-33-21-30(23-15-7-3-8-16-23)27(22-13-5-2-6-14-22)31(30,24-17-9-4-10-18-24)32(33)28(34)25-19-11-12-20-26(25)29(32)35/h2-20,27H,21H2,1H3/t27-,30+,31+/m1/s1
InChIKeyMSEIMBDLFXDQNI-RDAHNBDFSA-N
XLogP5.42
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.56
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

Analyze (1R,5S,6R)-3-methyl-1,5,6-triphenylspiro[3-azabicyclo[3.1.0]hexane-2,2'-indene]-1',3'-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 (1R,5S,6R)-3-methyl-1,5,6-triphenylspiro[3-azabicyclo[3.1.0]hexane-2,2'-indene]-1',3'-dione?
The IUPAC name of (1R,5S,6R)-3-methyl-1,5,6-triphenylspiro[3-azabicyclo[3.1.0]hexane-2,2'-indene]-1',3'-dione (CID 162403952) is (1R,5S,6R)-3-methyl-1,5,6-triphenylspiro[3-azabicyclo[3.1.0]hexane-2,2'-indene]-1',3'-dione.
What is the SMILES notation for (1R,5S,6R)-3-methyl-1,5,6-triphenylspiro[3-azabicyclo[3.1.0]hexane-2,2'-indene]-1',3'-dione?
The canonical SMILES for (1R,5S,6R)-3-methyl-1,5,6-triphenylspiro[3-azabicyclo[3.1.0]hexane-2,2'-indene]-1',3'-dione is CN1C[C@]2(c3ccccc3)[C@@H](c3ccccc3)[C@]2(c2ccccc2)C12C(=O)c1ccccc1C2=O.
What is the InChIKey of (1R,5S,6R)-3-methyl-1,5,6-triphenylspiro[3-azabicyclo[3.1.0]hexane-2,2'-indene]-1',3'-dione?
The InChIKey is MSEIMBDLFXDQNI-RDAHNBDFSA-N. The full InChI is InChI=1S/C32H25NO2/c1-33-21-30(23-15-7-3-8-16-23)27(22-13-5-2-6-14-22)31(30,24-17-9-4-10-18-24)32(33)28(34)25-19-11-12-20-26(25)29(32)35/h2-20,27H,21H2,1H3/t27-,30+,31+/m1/s1.
What are the key properties of (1R,5S,6R)-3-methyl-1,5,6-triphenylspiro[3-azabicyclo[3.1.0]hexane-2,2'-indene]-1',3'-dione?
(1R,5S,6R)-3-methyl-1,5,6-triphenylspiro[3-azabicyclo[3.1.0]hexane-2,2'-indene]-1',3'-dione has a molecular weight of 455.56 g/mol, XLogP of 5.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5S,6R)-3-methyl-1,5,6-triphenylspiro[3-azabicyclo[3.1.0]hexane-2,2'-indene]-1',3'-dione is sourced from PubChem (CID 162403952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).