2'-imino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hexane]-1',5'-dicarbonitrile

C14H7N5O2 — CID 146680270

IUPAC2'-imino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hexane]-1',5'-dicarbonitrile
SMILES[H]/N=C1\NC(=O)C2(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
LogP0.02
Rot. Bonds

About 2'-imino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hexane]-1',5'-dicarbonitrile

2'-imino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hexane]-1',5'-dicarbonitrile (PubChem CID 146680270) has the molecular formula C14H7N5O2 and a molecular weight of 277.24 g/mol. Its IUPAC name is 2'-imino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hexane]-1',5'-dicarbonitrile.

Molecular Properties

Compound Name2'-imino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hexane]-1',5'-dicarbonitrile
PubChem CID146680270
Molecular FormulaC14H7N5O2
Molecular Weight277.24 g/mol
Exact Mass277.06
IUPAC Name2'-imino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hexane]-1',5'-dicarbonitrile
SMILES[H]/N=C1\NC(=O)C2(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
XLogP0.02
TPSA129.63 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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

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

Launch Full Analysis

Related Compounds

2'-amino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hex-2-ene]-1',5'-dicarbonitrile
CID 5200267
(3S)-3-(ethylamino)-2-oxo-1H-indole-3-carbonitrile
CID 2016509
CID 146949857
CID 146949857
2-(3-hydroxy-2-oxo-1H-indol-3-yl)acetonitrile
CID 11658413
3,3-dichloro-1H-indol-2-one
CID 719018
(3R,8'aR)-6'-imino-2'-methyl-2-oxospiro[1H-indole-3,8'-2,3,5,8a-tetrahydro-1H-isoquinolin-2-ium]-5',7',7'-tricarbonitrile
CID 7103481
(1'S,3S,4'aR)-2'-imino-2-oxospiro[1H-indole-3,4'-4a,5,6,7-tetrahydro-1H-naphthalene]-1',3',3'-tricarbonitrile
CID 11859182
2'-imino-2,5'-dioxospiro[1H-indole-3,4'-3,7-dihydrofuro[3,4-b]pyran]-3'-carbonitrile
CID 139214645
(3S)-3-methyl-3-phenyl-1H-indol-2-one
CID 102419408
3-(2,5-dimethylanilino)-2-oxo-1H-indole-3-carbonitrile
CID 3153365
CID 97038251
CID 97038251
CID 71567013
CID 71567013

Frequently Asked Questions

What is the IUPAC name of 2'-imino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hexane]-1',5'-dicarbonitrile?
The IUPAC name of 2'-imino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hexane]-1',5'-dicarbonitrile (CID 146680270) is 2'-imino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hexane]-1',5'-dicarbonitrile.
What is the SMILES notation for 2'-imino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hexane]-1',5'-dicarbonitrile?
The canonical SMILES for 2'-imino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hexane]-1',5'-dicarbonitrile is [H]/N=C1\NC(=O)C2(C#N)C1(C#N)C21C(=O)Nc2ccccc21.
What is the InChIKey of 2'-imino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hexane]-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'-imino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hexane]-1',5'-dicarbonitrile?
2'-imino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hexane]-1',5'-dicarbonitrile has a molecular weight of 277.24 g/mol, XLogP of 0.02, 0 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2'-imino-2,4'-dioxospiro[1H-indole-3,6'-3-azabicyclo[3.1.0]hexane]-1',5'-dicarbonitrile is sourced from PubChem (CID 146680270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).