cyclonona-2,4,6,8-tetraen-1-imine

C9H9N — CID 91463284

IUPACcyclonona-2,4,6,8-tetraen-1-imine
SMILES[H]N=C1C=CC=CC=CC=C1
InChIInChI=1S/C9H9N/c10-9-7-5-3-1-2-4-6-8-9/h1-8,10H
InChIKeyYLADXPFFGCRMMQ-UHFFFAOYSA-N
MW131.18 g/mol
LogP2.24
Rot. Bonds

About cyclonona-2,4,6,8-tetraen-1-imine

cyclonona-2,4,6,8-tetraen-1-imine (PubChem CID 91463284) has the molecular formula C9H9N and a molecular weight of 131.18 g/mol. Its IUPAC name is cyclonona-2,4,6,8-tetraen-1-imine.

Molecular Properties

Compound Namecyclonona-2,4,6,8-tetraen-1-imine
PubChem CID91463284
Molecular FormulaC9H9N
Molecular Weight131.18 g/mol
Exact Mass131.07
IUPAC Namecyclonona-2,4,6,8-tetraen-1-imine
SMILES[H]N=C1C=CC=CC=CC=C1
InChIInChI=1S/C9H9N/c10-9-7-5-3-1-2-4-6-8-9/h1-8,10H
InChIKeyYLADXPFFGCRMMQ-UHFFFAOYSA-N
XLogP2.24
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.18
LogP ≤ 52.24
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 cyclonona-2,4,6,8-tetraen-1-imine?
The IUPAC name of cyclonona-2,4,6,8-tetraen-1-imine (CID 91463284) is cyclonona-2,4,6,8-tetraen-1-imine.
What is the SMILES notation for cyclonona-2,4,6,8-tetraen-1-imine?
The canonical SMILES for cyclonona-2,4,6,8-tetraen-1-imine is [H]N=C1C=CC=CC=CC=C1.
What is the InChIKey of cyclonona-2,4,6,8-tetraen-1-imine?
The InChIKey is YLADXPFFGCRMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N/c10-9-7-5-3-1-2-4-6-8-9/h1-8,10H.
What are the key properties of cyclonona-2,4,6,8-tetraen-1-imine?
cyclonona-2,4,6,8-tetraen-1-imine has a molecular weight of 131.18 g/mol, XLogP of 2.24, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclonona-2,4,6,8-tetraen-1-imine is sourced from PubChem (CID 91463284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).