cyclohexa-1,5-diene-1-carboximidoyl cyanide

C8H8N2 — CID 89311939

IUPACcyclohexa-1,5-diene-1-carboximidoyl cyanide
SMILES[H]/N=C(\C#N)C1=CCCC=C1
InChIInChI=1S/C8H8N2/c9-6-8(10)7-4-2-1-3-5-7/h2,4-5,10H,1,3H2/b10-8+
InChIKeyNSYUEFQITNAQKD-CSKARUKUSA-N
MW132.17 g/mol
LogP1.81
Rot. Bonds1

About cyclohexa-1,5-diene-1-carboximidoyl cyanide

cyclohexa-1,5-diene-1-carboximidoyl cyanide (PubChem CID 89311939) has the molecular formula C8H8N2 and a molecular weight of 132.17 g/mol. Its IUPAC name is cyclohexa-1,5-diene-1-carboximidoyl cyanide.

Molecular Properties

Compound Namecyclohexa-1,5-diene-1-carboximidoyl cyanide
PubChem CID89311939
Molecular FormulaC8H8N2
Molecular Weight132.17 g/mol
Exact Mass132.07
IUPAC Namecyclohexa-1,5-diene-1-carboximidoyl cyanide
SMILES[H]/N=C(\C#N)C1=CCCC=C1
InChIInChI=1S/C8H8N2/c9-6-8(10)7-4-2-1-3-5-7/h2,4-5,10H,1,3H2/b10-8+
InChIKeyNSYUEFQITNAQKD-CSKARUKUSA-N
XLogP1.81
TPSA47.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500132.17
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of cyclohexa-1,5-diene-1-carboximidoyl cyanide?
The IUPAC name of cyclohexa-1,5-diene-1-carboximidoyl cyanide (CID 89311939) is cyclohexa-1,5-diene-1-carboximidoyl cyanide.
What is the SMILES notation for cyclohexa-1,5-diene-1-carboximidoyl cyanide?
The canonical SMILES for cyclohexa-1,5-diene-1-carboximidoyl cyanide is [H]/N=C(\C#N)C1=CCCC=C1.
What is the InChIKey of cyclohexa-1,5-diene-1-carboximidoyl cyanide?
The InChIKey is NSYUEFQITNAQKD-CSKARUKUSA-N. The full InChI is InChI=1S/C8H8N2/c9-6-8(10)7-4-2-1-3-5-7/h2,4-5,10H,1,3H2/b10-8+.
What are the key properties of cyclohexa-1,5-diene-1-carboximidoyl cyanide?
cyclohexa-1,5-diene-1-carboximidoyl cyanide has a molecular weight of 132.17 g/mol, XLogP of 1.81, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-1,5-diene-1-carboximidoyl cyanide is sourced from PubChem (CID 89311939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).