cyclohexa-2,4-dien-1-ylmethanimine

C7H9N — CID 19375494

IUPACcyclohexa-2,4-dien-1-ylmethanimine
SMILES[H]/N=C/C1C=CC=CC1
InChIInChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-4,6-8H,5H2/b8-6+
InChIKeyXRGNDVWOADUJGC-SOFGYWHQSA-N
MW107.16 g/mol
LogP1.77
Rot. Bonds1

About cyclohexa-2,4-dien-1-ylmethanimine

cyclohexa-2,4-dien-1-ylmethanimine (PubChem CID 19375494) has the molecular formula C7H9N and a molecular weight of 107.16 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-ylmethanimine.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-ylmethanimine
PubChem CID19375494
Molecular FormulaC7H9N
Molecular Weight107.16 g/mol
Exact Mass107.07
IUPAC Namecyclohexa-2,4-dien-1-ylmethanimine
SMILES[H]/N=C/C1C=CC=CC1
InChIInChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-4,6-8H,5H2/b8-6+
InChIKeyXRGNDVWOADUJGC-SOFGYWHQSA-N
XLogP1.77
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500107.16
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze cyclohexa-2,4-dien-1-ylmethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-ylmethanimine?
The IUPAC name of cyclohexa-2,4-dien-1-ylmethanimine (CID 19375494) is cyclohexa-2,4-dien-1-ylmethanimine.
What is the SMILES notation for cyclohexa-2,4-dien-1-ylmethanimine?
The canonical SMILES for cyclohexa-2,4-dien-1-ylmethanimine is [H]/N=C/C1C=CC=CC1.
What is the InChIKey of cyclohexa-2,4-dien-1-ylmethanimine?
The InChIKey is XRGNDVWOADUJGC-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H9N/c8-6-7-4-2-1-3-5-7/h1-4,6-8H,5H2/b8-6+.
What are the key properties of cyclohexa-2,4-dien-1-ylmethanimine?
cyclohexa-2,4-dien-1-ylmethanimine has a molecular weight of 107.16 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-ylmethanimine is sourced from PubChem (CID 19375494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).