ethylidene(phenyl)azanium;yttrium

C8H8NY- — CID 58165797

IUPACethylidene(phenyl)azanium;yttrium
SMILESC/[C-]=[NH+]/c1[c-]cccc1.[Y]
InChIInChI=1S/C8H8N.Y/c1-2-9-8-6-4-3-5-7-8;/h3-6,9H,1H3;/q-1;
InChIKeyPWJOIUMJICZJNV-UHFFFAOYSA-N
MW207.07 g/mol
LogP0.16
Rot. Bonds1

About ethylidene(phenyl)azanium;yttrium

ethylidene(phenyl)azanium;yttrium (PubChem CID 58165797) has the molecular formula C8H8NY- and a molecular weight of 207.07 g/mol. Its IUPAC name is ethylidene(phenyl)azanium;yttrium.

Molecular Properties

Compound Nameethylidene(phenyl)azanium;yttrium
PubChem CID58165797
Molecular FormulaC8H8NY-
Molecular Weight207.07 g/mol
Exact Mass206.97
IUPAC Nameethylidene(phenyl)azanium;yttrium
SMILESC/[C-]=[NH+]/c1[c-]cccc1.[Y]
InChIInChI=1S/C8H8N.Y/c1-2-9-8-6-4-3-5-7-8;/h3-6,9H,1H3;/q-1;
InChIKeyPWJOIUMJICZJNV-UHFFFAOYSA-N
XLogP0.16
TPSA13.97 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.07
LogP ≤ 50.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

ethane;phenylbenzene;yttrium
CID 161119758
zinc;methylbenzene;chloride
CID 22283008
ethane;N-methanidylaniline;yttrium
CID 161273901
bis(1-hydroxyethylideneoxidanium);bis(1-hydroxyethylidene(phenyl)azanium);bis(palladium)
CID 54705655
N-methyl-N-phenylaniline;yttrium
CID 59953259
propan-2-ylbenzene;yttrium
CID 58365433
methylbenzene;praseodymium
CID 59896436
iron;methylbenzene
CID 134850166
methylbenzene;tungsten
CID 58867867
but-2-en-2-ylbenzene;tungsten(2+)
CID 20767133
carbanide;methylbenzene;uranium(2+)
CID 20703759
palladium(2+);phenylbenzene
CID 58471959

Frequently Asked Questions

What is the IUPAC name of ethylidene(phenyl)azanium;yttrium?
The IUPAC name of ethylidene(phenyl)azanium;yttrium (CID 58165797) is ethylidene(phenyl)azanium;yttrium.
What is the SMILES notation for ethylidene(phenyl)azanium;yttrium?
The canonical SMILES for ethylidene(phenyl)azanium;yttrium is C/[C-]=[NH+]/c1[c-]cccc1.[Y].
What is the InChIKey of ethylidene(phenyl)azanium;yttrium?
The InChIKey is PWJOIUMJICZJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N.Y/c1-2-9-8-6-4-3-5-7-8;/h3-6,9H,1H3;/q-1;.
What are the key properties of ethylidene(phenyl)azanium;yttrium?
ethylidene(phenyl)azanium;yttrium has a molecular weight of 207.07 g/mol, XLogP of 0.16, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethylidene(phenyl)azanium;yttrium is sourced from PubChem (CID 58165797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).