1'-methyl-2,2',4-trioxospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile

C15H8N4O3 — CID 5300573

IUPAC1'-methyl-2,2',4-trioxospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile
SMILESCN1C(=O)C2(c3ccccc31)C1(C#N)C(=O)NC(=O)C12C#N
InChIInChI=1S/C15H8N4O3/c1-19-9-5-3-2-4-8(9)15(12(19)22)13(6-16)10(20)18-11(21)14(13,15)7-17/h2-5H,1H3,(H,18,20,21)
InChIKeyXCDVULLZTDRVJW-UHFFFAOYSA-N
MW292.25 g/mol
LogP-0.41
Rot. Bonds

About 1'-methyl-2,2',4-trioxospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile

1'-methyl-2,2',4-trioxospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile (PubChem CID 5300573) has the molecular formula C15H8N4O3 and a molecular weight of 292.25 g/mol. Its IUPAC name is 1'-methyl-2,2',4-trioxospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile.

Molecular Properties

Compound Name1'-methyl-2,2',4-trioxospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile
PubChem CID5300573
Molecular FormulaC15H8N4O3
Molecular Weight292.25 g/mol
Exact Mass292.06
IUPAC Name1'-methyl-2,2',4-trioxospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile
SMILESCN1C(=O)C2(c3ccccc31)C1(C#N)C(=O)NC(=O)C12C#N
InChIInChI=1S/C15H8N4O3/c1-19-9-5-3-2-4-8(9)15(12(19)22)13(6-16)10(20)18-11(21)14(13,15)7-17/h2-5H,1H3,(H,18,20,21)
InChIKeyXCDVULLZTDRVJW-UHFFFAOYSA-N
XLogP-0.41
TPSA114.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 5-0.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1'-methyl-2,2',4-trioxospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile?
The IUPAC name of 1'-methyl-2,2',4-trioxospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile (CID 5300573) is 1'-methyl-2,2',4-trioxospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile.
What is the SMILES notation for 1'-methyl-2,2',4-trioxospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile?
The canonical SMILES for 1'-methyl-2,2',4-trioxospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile is CN1C(=O)C2(c3ccccc31)C1(C#N)C(=O)NC(=O)C12C#N.
What is the InChIKey of 1'-methyl-2,2',4-trioxospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile?
The InChIKey is XCDVULLZTDRVJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8N4O3/c1-19-9-5-3-2-4-8(9)15(12(19)22)13(6-16)10(20)18-11(21)14(13,15)7-17/h2-5H,1H3,(H,18,20,21).
What are the key properties of 1'-methyl-2,2',4-trioxospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile?
1'-methyl-2,2',4-trioxospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile has a molecular weight of 292.25 g/mol, XLogP of -0.41, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-methyl-2,2',4-trioxospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile is sourced from PubChem (CID 5300573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).