cyclohepta-2,4,6-trien-1-imine

C7H7N — CID 54111625

IUPACcyclohepta-2,4,6-trien-1-imine
SMILES[H]N=c1cccccc1
InChIInChI=1S/C7H7N/c8-7-5-3-1-2-4-6-7/h1-6,8H
InChIKeyNHNIVEADUHCPRP-UHFFFAOYSA-N
MW105.14 g/mol
LogP1.17
Rot. Bonds

About cyclohepta-2,4,6-trien-1-imine

cyclohepta-2,4,6-trien-1-imine (PubChem CID 54111625) has the molecular formula C7H7N and a molecular weight of 105.14 g/mol. Its IUPAC name is cyclohepta-2,4,6-trien-1-imine.

Molecular Properties

Compound Namecyclohepta-2,4,6-trien-1-imine
PubChem CID54111625
Molecular FormulaC7H7N
Molecular Weight105.14 g/mol
Exact Mass105.06
IUPAC Namecyclohepta-2,4,6-trien-1-imine
SMILES[H]N=c1cccccc1
InChIInChI=1S/C7H7N/c8-7-5-3-1-2-4-6-7/h1-6,8H
InChIKeyNHNIVEADUHCPRP-UHFFFAOYSA-N
XLogP1.17
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.14
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze cyclohepta-2,4,6-trien-1-imine 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 cyclohepta-2,4,6-trien-1-imine?
The IUPAC name of cyclohepta-2,4,6-trien-1-imine (CID 54111625) is cyclohepta-2,4,6-trien-1-imine.
What is the SMILES notation for cyclohepta-2,4,6-trien-1-imine?
The canonical SMILES for cyclohepta-2,4,6-trien-1-imine is [H]N=c1cccccc1.
What is the InChIKey of cyclohepta-2,4,6-trien-1-imine?
The InChIKey is NHNIVEADUHCPRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N/c8-7-5-3-1-2-4-6-7/h1-6,8H.
What are the key properties of cyclohepta-2,4,6-trien-1-imine?
cyclohepta-2,4,6-trien-1-imine has a molecular weight of 105.14 g/mol, XLogP of 1.17, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-2,4,6-trien-1-imine is sourced from PubChem (CID 54111625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).