cyclohexa-2,5-dien-1-imine

C6H7N — CID 6336073

IUPACcyclohexa-2,5-dien-1-imine
SMILES[H]N=C1C=CCC=C1
InChIInChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h2-5,7H,1H2
InChIKeyDIOFQHLOIMCUSH-UHFFFAOYSA-N
MW93.13 g/mol
LogP1.52
Rot. Bonds

About cyclohexa-2,5-dien-1-imine

cyclohexa-2,5-dien-1-imine (PubChem CID 6336073) has the molecular formula C6H7N and a molecular weight of 93.13 g/mol. Its IUPAC name is cyclohexa-2,5-dien-1-imine.

Molecular Properties

Compound Namecyclohexa-2,5-dien-1-imine
PubChem CID6336073
Molecular FormulaC6H7N
Molecular Weight93.13 g/mol
Exact Mass93.06
IUPAC Namecyclohexa-2,5-dien-1-imine
SMILES[H]N=C1C=CCC=C1
InChIInChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h2-5,7H,1H2
InChIKeyDIOFQHLOIMCUSH-UHFFFAOYSA-N
XLogP1.52
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50093.13
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-2,5-dien-1-imine?
The IUPAC name of cyclohexa-2,5-dien-1-imine (CID 6336073) is cyclohexa-2,5-dien-1-imine.
What is the SMILES notation for cyclohexa-2,5-dien-1-imine?
The canonical SMILES for cyclohexa-2,5-dien-1-imine is [H]N=C1C=CCC=C1.
What is the InChIKey of cyclohexa-2,5-dien-1-imine?
The InChIKey is DIOFQHLOIMCUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7N/c7-6-4-2-1-3-5-6/h2-5,7H,1H2.
What are the key properties of cyclohexa-2,5-dien-1-imine?
cyclohexa-2,5-dien-1-imine has a molecular weight of 93.13 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,5-dien-1-imine is sourced from PubChem (CID 6336073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).