ethylidene(methylidene)azanium

C3H6N+ — CID 54351977

IUPACethylidene(methylidene)azanium
SMILESC=[N+]=CC
InChIInChI=1S/C3H6N/c1-3-4-2/h3H,2H2,1H3/q+1
InChIKeyUJFZIKTYCYUHFF-UHFFFAOYSA-N
MW56.09 g/mol
LogP-0.16
Rot. Bonds

About ethylidene(methylidene)azanium

ethylidene(methylidene)azanium (PubChem CID 54351977) has the molecular formula C3H6N+ and a molecular weight of 56.09 g/mol. Its IUPAC name is ethylidene(methylidene)azanium.

Molecular Properties

Compound Nameethylidene(methylidene)azanium
PubChem CID54351977
Molecular FormulaC3H6N+
Molecular Weight56.09 g/mol
Exact Mass56.05
IUPAC Nameethylidene(methylidene)azanium
SMILESC=[N+]=CC
InChIInChI=1S/C3H6N/c1-3-4-2/h3H,2H2,1H3/q+1
InChIKeyUJFZIKTYCYUHFF-UHFFFAOYSA-N
XLogP-0.16
TPSA14.10 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50056.09
LogP ≤ 5-0.16
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

iodanium di(ethylidene)azanium
CID 172853258
prop-1-ene
CID 162178440
buta-1,2-diene;ethane
CID 143712294
ethene;tetrakis(prop-1-ene)
CID 158667737
λ2-plumbane;prop-1-ene
CID 173103273
ethane;tetrakis(prop-1-ene)
CID 90918926
azane;tris(prop-1-ene)
CID 162019717
ethane;bis(prop-1-ene)
CID 91426438
azane;tris(prop-1-ene)
CID 173323353
bis(prop-1-ene);hydrate
CID 21257591
prop-1-ene;hydrochloride
CID 19097823
buta-1,2-diene;molecular nitrogen
CID 141198155

Frequently Asked Questions

What is the IUPAC name of ethylidene(methylidene)azanium?
The IUPAC name of ethylidene(methylidene)azanium (CID 54351977) is ethylidene(methylidene)azanium.
What is the SMILES notation for ethylidene(methylidene)azanium?
The canonical SMILES for ethylidene(methylidene)azanium is C=[N+]=CC.
What is the InChIKey of ethylidene(methylidene)azanium?
The InChIKey is UJFZIKTYCYUHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N/c1-3-4-2/h3H,2H2,1H3/q+1.
What are the key properties of ethylidene(methylidene)azanium?
ethylidene(methylidene)azanium has a molecular weight of 56.09 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 ethylidene(methylidene)azanium is sourced from PubChem (CID 54351977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).