2-cyclohexa-1,3-dien-1-ylprop-2-enylidene-ethenyl-methylazanium

C12H16N+ — CID 155692520

IUPAC2-cyclohexa-1,3-dien-1-ylprop-2-enylidene-ethenyl-methylazanium
SMILESC=C/[N+](C)=C/C(=C)C1=CC=CCC1
InChIInChI=1S/C12H16N/c1-4-13(3)10-11(2)12-8-6-5-7-9-12/h4-6,8,10H,1-2,7,9H2,3H3/q+1/b13-10+
InChIKeyHADZMMGMIZCPJY-JLHYYAGUSA-N
MW174.27 g/mol
LogP2.68
Rot. Bonds3

About 2-cyclohexa-1,3-dien-1-ylprop-2-enylidene-ethenyl-methylazanium

2-cyclohexa-1,3-dien-1-ylprop-2-enylidene-ethenyl-methylazanium (PubChem CID 155692520) has the molecular formula C12H16N+ and a molecular weight of 174.27 g/mol. Its IUPAC name is 2-cyclohexa-1,3-dien-1-ylprop-2-enylidene-ethenyl-methylazanium.

Molecular Properties

Compound Name2-cyclohexa-1,3-dien-1-ylprop-2-enylidene-ethenyl-methylazanium
PubChem CID155692520
Molecular FormulaC12H16N+
Molecular Weight174.27 g/mol
Exact Mass174.13
IUPAC Name2-cyclohexa-1,3-dien-1-ylprop-2-enylidene-ethenyl-methylazanium
SMILESC=C/[N+](C)=C/C(=C)C1=CC=CCC1
InChIInChI=1S/C12H16N/c1-4-13(3)10-11(2)12-8-6-5-7-9-12/h4-6,8,10H,1-2,7,9H2,3H3/q+1/b13-10+
InChIKeyHADZMMGMIZCPJY-JLHYYAGUSA-N
XLogP2.68
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Analyze 2-cyclohexa-1,3-dien-1-ylprop-2-enylidene-ethenyl-methylazanium with MolForge

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

Launch Full Analysis

Related Compounds

[(5Z)-5-(dimethylaminomethylidene)cyclopenta-1,3-dien-1-yl]methylidene-dimethylazanium chloride
CID 134892281
CID 164673418
CID 164673418
3-Pentylazocine
CID 57204352
1-cyclohexa-1,3-dien-1-yl-N-methylmethanimine
CID 59809511
(3E)-3-(3-methylbut-2-enylidene)-4-methylidenepyridine
CID 88275820
(3E,4Z)-3,4-di(ethylidene)pyridine
CID 88552850
(2Z)-N-ethenyl-3-propan-2-yl-2-[(Z)-prop-1-enyl]penta-2,4-dien-1-imine
CID 88576624
(4Z)-4-[(Z)-but-2-enylidene]-3-methylidenepyridine
CID 89028792
(3E,4Z)-4-ethylidene-3-prop-2-enylidenepyridine
CID 89057468
(3E)-3-[(2Z)-3-ethylpenta-2,4-dienylidene]-4H-pyridine
CID 89125599
(2E,4Z)-N-ethenyl-2-prop-1-en-2-ylhexa-2,4-dien-1-imine
CID 89278501
4-methyl-6-[(2E,4E,6Z)-octa-2,4,6-trien-4-yl]-4H-azepine
CID 89308173

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,3-dien-1-ylprop-2-enylidene-ethenyl-methylazanium?
The IUPAC name of 2-cyclohexa-1,3-dien-1-ylprop-2-enylidene-ethenyl-methylazanium (CID 155692520) is 2-cyclohexa-1,3-dien-1-ylprop-2-enylidene-ethenyl-methylazanium.
What is the SMILES notation for 2-cyclohexa-1,3-dien-1-ylprop-2-enylidene-ethenyl-methylazanium?
The canonical SMILES for 2-cyclohexa-1,3-dien-1-ylprop-2-enylidene-ethenyl-methylazanium is C=C/[N+](C)=C/C(=C)C1=CC=CCC1.
What is the InChIKey of 2-cyclohexa-1,3-dien-1-ylprop-2-enylidene-ethenyl-methylazanium?
The InChIKey is HADZMMGMIZCPJY-JLHYYAGUSA-N. The full InChI is InChI=1S/C12H16N/c1-4-13(3)10-11(2)12-8-6-5-7-9-12/h4-6,8,10H,1-2,7,9H2,3H3/q+1/b13-10+.
What are the key properties of 2-cyclohexa-1,3-dien-1-ylprop-2-enylidene-ethenyl-methylazanium?
2-cyclohexa-1,3-dien-1-ylprop-2-enylidene-ethenyl-methylazanium has a molecular weight of 174.27 g/mol, XLogP of 2.68, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,3-dien-1-ylprop-2-enylidene-ethenyl-methylazanium is sourced from PubChem (CID 155692520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).