2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile

C14H7N5O2 — CID 5200267

IUPAC2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
SMILESN#CC12C(=O)N=C(N)C1(C#N)C21C(=O)Nc2ccccc21
InChIInChI=1S/C14H7N5O2/c15-5-12-9(17)19-10(20)13(12,6-16)14(12)7-3-1-2-4-8(7)18-11(14)21/h1-4H,(H,18,21)(H2,17,19,20)
InChIKeyXLIUPTTVIFPTHW-UHFFFAOYSA-N
MW277.24 g/mol
LogP-0.19
Rot. Bonds

About 2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile

2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile (PubChem CID 5200267) has the molecular formula C14H7N5O2 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile.

Molecular Properties

Compound Name2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
PubChem CID5200267
Molecular FormulaC14H7N5O2
Molecular Weight277.24 g/mol
Exact Mass277.06
IUPAC Name2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
SMILESN#CC12C(=O)N=C(N)C1(C#N)C21C(=O)Nc2ccccc21
InChIInChI=1S/C14H7N5O2/c15-5-12-9(17)19-10(20)13(12,6-16)14(12)7-3-1-2-4-8(7)18-11(14)21/h1-4H,(H,18,21)(H2,17,19,20)
InChIKeyXLIUPTTVIFPTHW-UHFFFAOYSA-N
XLogP-0.19
TPSA132.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 5-0.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile with MolForge

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Related Compounds

2'-amino-4',4'-dimethoxy-2-oxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
CID 45028352
[2-oxo-3-(2-oxopropyl)-2,3-dihydro-1H-indol-3-yl]propanedinitrile
CID 3920633
2-Imino-1'-methyl-2',4-dioxo-3-azaspiro[bicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile
CID 42648077
1'-Benzyl-2-imino-2',4-dioxospiro[3-azabicyclo-[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile
CID 129747584
2-[(3R)-2-oxo-3-(2-oxopropyl)-1H-indol-3-yl]propanedinitrile
CID 699463
2'-Oxo-1',2'-dihydrospiro[cyclopropane-1,3'-indole]-2,2,3,3-tetracarbonitrile
CID 5200326
1'-Methyl-2,2',4-trioxo-1',2'-dihydrospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile
CID 5300573
2-(2-oxo-3-prop-2-enyl-1H-indol-3-yl)acetonitrile
CID 11816682
7'-amino-2'-methyl-2,4'-dioxospiro[1H-indole-3,5'-3H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
CID 44612873
2,2',4-Trioxospiro[3-azabicyclo[3.1.0]hexane-6,3'-indole]-1,5-dicarbonitrile
CID 129747894
(2'z)-5'-Acetyl-2'-hydrazinylidene-6'-methyl-2-oxo-1,2,2',3'-tetrahydro-1'h-spiro[indole-3,4'-pyridine]-3'-carbonitrile
CID 129757161
2-(2-Oxoindolin-3-yl)-2-cyanoacetamide
CID 129792932

Frequently Asked Questions

What is the IUPAC name of 2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile?
The IUPAC name of 2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile (CID 5200267) is 2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile.
What is the SMILES notation for 2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile?
The canonical SMILES for 2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile is N#CC12C(=O)N=C(N)C1(C#N)C21C(=O)Nc2ccccc21.
What is the InChIKey of 2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile?
The InChIKey is XLIUPTTVIFPTHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7N5O2/c15-5-12-9(17)19-10(20)13(12,6-16)14(12)7-3-1-2-4-8(7)18-11(14)21/h1-4H,(H,18,21)(H2,17,19,20).
What are the key properties of 2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile?
2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile has a molecular weight of 277.24 g/mol, XLogP of -0.19, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile is sourced from PubChem (CID 5200267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).