[2-cyano-2-(2-oxo-1,3-dihydroindol-3-yl)ethenylidene]azanide

C11H6N3O- — CID 164680550

IUPAC[2-cyano-2-(2-oxo-1,3-dihydroindol-3-yl)ethenylidene]azanide
SMILESN#CC(=C=[N-])C1C(=O)Nc2ccccc21
InChIInChI=1S/C11H6N3O/c12-5-7(6-13)10-8-3-1-2-4-9(8)14-11(10)15/h1-4,10H,(H,14,15)/q-1
InChIKeyXUFOTTAVHTUANP-UHFFFAOYSA-N
MW196.19 g/mol
LogP1.41
Rot. Bonds1

About [2-cyano-2-(2-oxo-1,3-dihydroindol-3-yl)ethenylidene]azanide

[2-cyano-2-(2-oxo-1,3-dihydroindol-3-yl)ethenylidene]azanide (PubChem CID 164680550) has the molecular formula C11H6N3O- and a molecular weight of 196.19 g/mol. Its IUPAC name is [2-cyano-2-(2-oxo-1,3-dihydroindol-3-yl)ethenylidene]azanide.

Molecular Properties

Compound Name[2-cyano-2-(2-oxo-1,3-dihydroindol-3-yl)ethenylidene]azanide
PubChem CID164680550
Molecular FormulaC11H6N3O-
Molecular Weight196.19 g/mol
Exact Mass196.05
IUPAC Name[2-cyano-2-(2-oxo-1,3-dihydroindol-3-yl)ethenylidene]azanide
SMILESN#CC(=C=[N-])C1C(=O)Nc2ccccc21
InChIInChI=1S/C11H6N3O/c12-5-7(6-13)10-8-3-1-2-4-9(8)14-11(10)15/h1-4,10H,(H,14,15)/q-1
InChIKeyXUFOTTAVHTUANP-UHFFFAOYSA-N
XLogP1.41
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.19
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-cyano-2-(2-oxo-1,3-dihydroindol-3-yl)ethenylidene]azanide?
The IUPAC name of [2-cyano-2-(2-oxo-1,3-dihydroindol-3-yl)ethenylidene]azanide (CID 164680550) is [2-cyano-2-(2-oxo-1,3-dihydroindol-3-yl)ethenylidene]azanide.
What is the SMILES notation for [2-cyano-2-(2-oxo-1,3-dihydroindol-3-yl)ethenylidene]azanide?
The canonical SMILES for [2-cyano-2-(2-oxo-1,3-dihydroindol-3-yl)ethenylidene]azanide is N#CC(=C=[N-])C1C(=O)Nc2ccccc21.
What is the InChIKey of [2-cyano-2-(2-oxo-1,3-dihydroindol-3-yl)ethenylidene]azanide?
The InChIKey is XUFOTTAVHTUANP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6N3O/c12-5-7(6-13)10-8-3-1-2-4-9(8)14-11(10)15/h1-4,10H,(H,14,15)/q-1.
What are the key properties of [2-cyano-2-(2-oxo-1,3-dihydroindol-3-yl)ethenylidene]azanide?
[2-cyano-2-(2-oxo-1,3-dihydroindol-3-yl)ethenylidene]azanide has a molecular weight of 196.19 g/mol, XLogP of 1.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyano-2-(2-oxo-1,3-dihydroindol-3-yl)ethenylidene]azanide is sourced from PubChem (CID 164680550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).