cyclobut-2-en-1-ylidene(methylidene)azanium

C5H6N+ — CID 159432541

IUPACcyclobut-2-en-1-ylidene(methylidene)azanium
SMILESC=[N+]=C1C=CC1
InChIInChI=1S/C5H6N/c1-6-5-3-2-4-5/h2-3H,1,4H2/q+1
InChIKeyLABLMCYWUCMSSK-UHFFFAOYSA-N
MW80.11 g/mol
LogP0.16
Rot. Bonds

About cyclobut-2-en-1-ylidene(methylidene)azanium

cyclobut-2-en-1-ylidene(methylidene)azanium (PubChem CID 159432541) has the molecular formula C5H6N+ and a molecular weight of 80.11 g/mol. Its IUPAC name is cyclobut-2-en-1-ylidene(methylidene)azanium.

Molecular Properties

Compound Namecyclobut-2-en-1-ylidene(methylidene)azanium
PubChem CID159432541
Molecular FormulaC5H6N+
Molecular Weight80.11 g/mol
Exact Mass80.05
IUPAC Namecyclobut-2-en-1-ylidene(methylidene)azanium
SMILESC=[N+]=C1C=CC1
InChIInChI=1S/C5H6N/c1-6-5-3-2-4-5/h2-3H,1,4H2/q+1
InChIKeyLABLMCYWUCMSSK-UHFFFAOYSA-N
XLogP0.16
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50080.11
LogP ≤ 50.16
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

2-methylidenecyclopent-3-en-1-one
CID 15805386
1-methyl-2-(2-methylprop-2-enyl)cyclopenta-1,3-diene
CID 54440744
5-methylidenecyclohex-2-ene-1-thione
CID 123673709
1,8-dihydro-as-indacene
CID 11030043
(E)-cyclobut-2-en-1-ylidenemethanamine
CID 147295105
4-methylidene-1H-azulene
CID 144559189
3-buta-1,3-dienylidenecyclobutene
CID 123242067
6-methylidene-2-[2-(3-methylidenecyclohexa-1,5-dien-1-yl)ethyl]cyclohexa-1,3-diene
CID 136734752
1,2-dimethylcyclopenta-1,3-diene;zirconium
CID 174666436
6-diazo-2-(methoxymethyl)cyclohexa-1,3-diene
CID 21294245
6-diazocyclohexa-1,3-diene-1,2-diamine
CID 89251664
6-methylidene-2-propan-2-ylcyclohexa-1,3-diene
CID 90709253

Frequently Asked Questions

What is the IUPAC name of cyclobut-2-en-1-ylidene(methylidene)azanium?
The IUPAC name of cyclobut-2-en-1-ylidene(methylidene)azanium (CID 159432541) is cyclobut-2-en-1-ylidene(methylidene)azanium.
What is the SMILES notation for cyclobut-2-en-1-ylidene(methylidene)azanium?
The canonical SMILES for cyclobut-2-en-1-ylidene(methylidene)azanium is C=[N+]=C1C=CC1.
What is the InChIKey of cyclobut-2-en-1-ylidene(methylidene)azanium?
The InChIKey is LABLMCYWUCMSSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6N/c1-6-5-3-2-4-5/h2-3H,1,4H2/q+1.
What are the key properties of cyclobut-2-en-1-ylidene(methylidene)azanium?
cyclobut-2-en-1-ylidene(methylidene)azanium has a molecular weight of 80.11 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobut-2-en-1-ylidene(methylidene)azanium is sourced from PubChem (CID 159432541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).