cyclohexa-2,4-dien-1-ylidene(methylidene)azanium

C7H8N+ — CID 123939161

IUPACcyclohexa-2,4-dien-1-ylidene(methylidene)azanium
SMILESC=[N+]=C1C=CC=CC1
InChIInChI=1S/C7H8N/c1-8-7-5-3-2-4-6-7/h2-5H,1,6H2/q+1
InChIKeyIZUYEYGKDKNKDC-UHFFFAOYSA-N
MW106.15 g/mol
LogP0.71
Rot. Bonds

About cyclohexa-2,4-dien-1-ylidene(methylidene)azanium

cyclohexa-2,4-dien-1-ylidene(methylidene)azanium (PubChem CID 123939161) has the molecular formula C7H8N+ and a molecular weight of 106.15 g/mol. Its IUPAC name is cyclohexa-2,4-dien-1-ylidene(methylidene)azanium.

Molecular Properties

Compound Namecyclohexa-2,4-dien-1-ylidene(methylidene)azanium
PubChem CID123939161
Molecular FormulaC7H8N+
Molecular Weight106.15 g/mol
Exact Mass106.07
IUPAC Namecyclohexa-2,4-dien-1-ylidene(methylidene)azanium
SMILESC=[N+]=C1C=CC=CC1
InChIInChI=1S/C7H8N/c1-8-7-5-3-2-4-6-7/h2-5H,1,6H2/q+1
InChIKeyIZUYEYGKDKNKDC-UHFFFAOYSA-N
XLogP0.71
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500106.15
LogP ≤ 50.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2H-benzimidazole
CID 9548684
6-Ethyl-2,3-dihydropyridine
CID 58693567
2-fluoro-N-prop-2-enylcyclohexa-2,4-dien-1-imine
CID 67831161
(4E)-4-fluoro-N-methylhepta-4,6-dien-3-imine
CID 156851749
N-methylcyclohexa-2,4-dien-1-imine
CID 14398595
N-tert-butylcyclohexa-2,4-dien-1-imine
CID 14398597
1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine
CID 18724211
N-methylcyclohex-2-en-1-imine
CID 20718417
N-cyclohexa-2,4-dien-1-ylidenemethanimidamide
CID 21019563
N-cyclopropylcyclohexa-2,4-dien-1-imine
CID 21616142
N-methyl-6-methylidenecyclohexa-2,4-dien-1-imine
CID 21859815
1-N,2-N-dimethylcyclohexa-3,5-diene-1,2-diimine;ethane
CID 53727885

Frequently Asked Questions

What is the IUPAC name of cyclohexa-2,4-dien-1-ylidene(methylidene)azanium?
The IUPAC name of cyclohexa-2,4-dien-1-ylidene(methylidene)azanium (CID 123939161) is cyclohexa-2,4-dien-1-ylidene(methylidene)azanium.
What is the SMILES notation for cyclohexa-2,4-dien-1-ylidene(methylidene)azanium?
The canonical SMILES for cyclohexa-2,4-dien-1-ylidene(methylidene)azanium is C=[N+]=C1C=CC=CC1.
What is the InChIKey of cyclohexa-2,4-dien-1-ylidene(methylidene)azanium?
The InChIKey is IZUYEYGKDKNKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N/c1-8-7-5-3-2-4-6-7/h2-5H,1,6H2/q+1.
What are the key properties of cyclohexa-2,4-dien-1-ylidene(methylidene)azanium?
cyclohexa-2,4-dien-1-ylidene(methylidene)azanium has a molecular weight of 106.15 g/mol, XLogP of 0.71, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexa-2,4-dien-1-ylidene(methylidene)azanium is sourced from PubChem (CID 123939161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).