2-[2-(dicyanomethylidene)hydrazinyl]benzamide

C10H7N5O — CID 779708

IUPAC2-[2-(dicyanomethylidene)hydrazinyl]benzamide
SMILESN#CC(C#N)=NNc1ccccc1C(N)=O
InChIInChI=1S/C10H7N5O/c11-5-7(6-12)14-15-9-4-2-1-3-8(9)10(13)16/h1-4,15H,(H2,13,16)
InChIKeyGOKYLBIPIKEWHH-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.60
Rot. Bonds3

About 2-[2-(dicyanomethylidene)hydrazinyl]benzamide

2-[2-(dicyanomethylidene)hydrazinyl]benzamide (PubChem CID 779708) has the molecular formula C10H7N5O and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-[2-(dicyanomethylidene)hydrazinyl]benzamide.

Molecular Properties

Compound Name2-[2-(dicyanomethylidene)hydrazinyl]benzamide
PubChem CID779708
Molecular FormulaC10H7N5O
Molecular Weight213.20 g/mol
Exact Mass213.07
IUPAC Name2-[2-(dicyanomethylidene)hydrazinyl]benzamide
SMILESN#CC(C#N)=NNc1ccccc1C(N)=O
InChIInChI=1S/C10H7N5O/c11-5-7(6-12)14-15-9-4-2-1-3-8(9)10(13)16/h1-4,15H,(H2,13,16)
InChIKeyGOKYLBIPIKEWHH-UHFFFAOYSA-N
XLogP0.60
TPSA115.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_imine_B(17)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(dicyanomethylidene)hydrazinyl]benzamide?
The IUPAC name of 2-[2-(dicyanomethylidene)hydrazinyl]benzamide (CID 779708) is 2-[2-(dicyanomethylidene)hydrazinyl]benzamide.
What is the SMILES notation for 2-[2-(dicyanomethylidene)hydrazinyl]benzamide?
The canonical SMILES for 2-[2-(dicyanomethylidene)hydrazinyl]benzamide is N#CC(C#N)=NNc1ccccc1C(N)=O.
What is the InChIKey of 2-[2-(dicyanomethylidene)hydrazinyl]benzamide?
The InChIKey is GOKYLBIPIKEWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O/c11-5-7(6-12)14-15-9-4-2-1-3-8(9)10(13)16/h1-4,15H,(H2,13,16).
What are the key properties of 2-[2-(dicyanomethylidene)hydrazinyl]benzamide?
2-[2-(dicyanomethylidene)hydrazinyl]benzamide has a molecular weight of 213.20 g/mol, XLogP of 0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dicyanomethylidene)hydrazinyl]benzamide is sourced from PubChem (CID 779708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).