2-oxospiro[1H-indole-3,3'-cyclopropane]-1',1',2',2'-tetracarbonitrile

C14H5N5O — CID 5200326

IUPAC2-oxospiro[1H-indole-3,3'-cyclopropane]-1',1',2',2'-tetracarbonitrile
SMILESN#CC1(C#N)C(C#N)(C#N)C12C(=O)Nc1ccccc12
InChIInChI=1S/C14H5N5O/c15-5-12(6-16)13(7-17,8-18)14(12)9-3-1-2-4-10(9)19-11(14)20/h1-4H,(H,19,20)
InChIKeySMJKTPWKNZJCRJ-UHFFFAOYSA-N
MW259.23 g/mol
LogP0.96
Rot. Bonds

About 2-oxospiro[1H-indole-3,3'-cyclopropane]-1',1',2',2'-tetracarbonitrile

2-oxospiro[1H-indole-3,3'-cyclopropane]-1',1',2',2'-tetracarbonitrile (PubChem CID 5200326) has the molecular formula C14H5N5O and a molecular weight of 259.23 g/mol. Its IUPAC name is 2-oxospiro[1H-indole-3,3'-cyclopropane]-1',1',2',2'-tetracarbonitrile.

Molecular Properties

Compound Name2-oxospiro[1H-indole-3,3'-cyclopropane]-1',1',2',2'-tetracarbonitrile
PubChem CID5200326
Molecular FormulaC14H5N5O
Molecular Weight259.23 g/mol
Exact Mass259.05
IUPAC Name2-oxospiro[1H-indole-3,3'-cyclopropane]-1',1',2',2'-tetracarbonitrile
SMILESN#CC1(C#N)C(C#N)(C#N)C12C(=O)Nc1ccccc12
InChIInChI=1S/C14H5N5O/c15-5-12(6-16)13(7-17,8-18)14(12)9-3-1-2-4-10(9)19-11(14)20/h1-4H,(H,19,20)
InChIKeySMJKTPWKNZJCRJ-UHFFFAOYSA-N
XLogP0.96
TPSA124.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_cyano_A(23)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-oxospiro[1H-indole-3,3'-cyclopropane]-1',1',2',2'-tetracarbonitrile?
The IUPAC name of 2-oxospiro[1H-indole-3,3'-cyclopropane]-1',1',2',2'-tetracarbonitrile (CID 5200326) is 2-oxospiro[1H-indole-3,3'-cyclopropane]-1',1',2',2'-tetracarbonitrile.
What is the SMILES notation for 2-oxospiro[1H-indole-3,3'-cyclopropane]-1',1',2',2'-tetracarbonitrile?
The canonical SMILES for 2-oxospiro[1H-indole-3,3'-cyclopropane]-1',1',2',2'-tetracarbonitrile is N#CC1(C#N)C(C#N)(C#N)C12C(=O)Nc1ccccc12.
What is the InChIKey of 2-oxospiro[1H-indole-3,3'-cyclopropane]-1',1',2',2'-tetracarbonitrile?
The InChIKey is SMJKTPWKNZJCRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H5N5O/c15-5-12(6-16)13(7-17,8-18)14(12)9-3-1-2-4-10(9)19-11(14)20/h1-4H,(H,19,20).
What are the key properties of 2-oxospiro[1H-indole-3,3'-cyclopropane]-1',1',2',2'-tetracarbonitrile?
2-oxospiro[1H-indole-3,3'-cyclopropane]-1',1',2',2'-tetracarbonitrile has a molecular weight of 259.23 g/mol, XLogP of 0.96, 0 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxospiro[1H-indole-3,3'-cyclopropane]-1',1',2',2'-tetracarbonitrile is sourced from PubChem (CID 5200326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).