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

C7H8N+ — CID 57062609

IUPACcyclohepta-2,4,6-trien-1-ylideneazanium
SMILES[NH2+]=c1cccccc1
InChIInChI=1S/C7H7N/c8-7-5-3-1-2-4-6-7/h1-6,8H/p+1
InChIKeyNHNIVEADUHCPRP-UHFFFAOYSA-O
MW106.15 g/mol
LogP-0.65
Rot. Bonds

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

cyclohepta-2,4,6-trien-1-ylideneazanium (PubChem CID 57062609) has the molecular formula C7H8N+ and a molecular weight of 106.15 g/mol. Its IUPAC name is cyclohepta-2,4,6-trien-1-ylideneazanium.

Molecular Properties

Compound Namecyclohepta-2,4,6-trien-1-ylideneazanium
PubChem CID57062609
Molecular FormulaC7H8N+
Molecular Weight106.15 g/mol
Exact Mass106.07
IUPAC Namecyclohepta-2,4,6-trien-1-ylideneazanium
SMILES[NH2+]=c1cccccc1
InChIInChI=1S/C7H7N/c8-7-5-3-1-2-4-6-7/h1-6,8H/p+1
InChIKeyNHNIVEADUHCPRP-UHFFFAOYSA-O
XLogP-0.65
TPSA25.59 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.15
LogP ≤ 5-0.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Analyze cyclohepta-2,4,6-trien-1-ylideneazanium 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-ylideneazanium?
The IUPAC name of cyclohepta-2,4,6-trien-1-ylideneazanium (CID 57062609) is cyclohepta-2,4,6-trien-1-ylideneazanium.
What is the SMILES notation for cyclohepta-2,4,6-trien-1-ylideneazanium?
The canonical SMILES for cyclohepta-2,4,6-trien-1-ylideneazanium is [NH2+]=c1cccccc1.
What is the InChIKey of cyclohepta-2,4,6-trien-1-ylideneazanium?
The InChIKey is NHNIVEADUHCPRP-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H7N/c8-7-5-3-1-2-4-6-7/h1-6,8H/p+1.
What are the key properties of cyclohepta-2,4,6-trien-1-ylideneazanium?
cyclohepta-2,4,6-trien-1-ylideneazanium has a molecular weight of 106.15 g/mol, XLogP of -0.65, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohepta-2,4,6-trien-1-ylideneazanium is sourced from PubChem (CID 57062609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).