ethenylbenzene;2H-isoindole;tungsten(2+)

C16H13NW — CID 161337347

IUPACethenylbenzene;2H-isoindole;tungsten(2+)
SMILES[H]/[C-]=C/c1[c-]cccc1.[W+2].c1ccc2c[nH]cc2c1
InChIInChI=1S/C8H7N.C8H6.W/c1-2-4-8-6-9-5-7(8)3-1;1-2-8-6-4-3-5-7-8;/h1-6,9H;1-6H;/q;-2;+2
InChIKeyVXOQSCZHTYLAAO-UHFFFAOYSA-N
MW403.13 g/mol
LogP4.10
Rot. Bonds1

About ethenylbenzene;2H-isoindole;tungsten(2+)

ethenylbenzene;2H-isoindole;tungsten(2+) (PubChem CID 161337347) has the molecular formula C16H13NW and a molecular weight of 403.13 g/mol. Its IUPAC name is ethenylbenzene;2H-isoindole;tungsten(2+).

Molecular Properties

Compound Nameethenylbenzene;2H-isoindole;tungsten(2+)
PubChem CID161337347
Molecular FormulaC16H13NW
Molecular Weight403.13 g/mol
Exact Mass403.06
IUPAC Nameethenylbenzene;2H-isoindole;tungsten(2+)
SMILES[H]/[C-]=C/c1[c-]cccc1.[W+2].c1ccc2c[nH]cc2c1
InChIInChI=1S/C8H7N.C8H6.W/c1-2-4-8-6-9-5-7(8)3-1;1-2-8-6-4-3-5-7-8;/h1-6,9H;1-6H;/q;-2;+2
InChIKeyVXOQSCZHTYLAAO-UHFFFAOYSA-N
XLogP4.10
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.13
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

CID 166041879
CID 166041879
cyclopenta-1,3-diene;ethenylbenzene;1H-indene;2H-isoindole;phenanthrene;tungsten(2+)
CID 159781760
dimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium
CID 161426906
[(Z)-2-phenylethenyl]benzene
CID 101447651
benzaldehyde;carbanide;tungsten(2+)
CID 20660194
1-ethenyl-3-propan-2-ylbenzene-6-ide;tungsten(2+)
CID 177172358
2H-isoindole;1H-pyrrole
CID 162096174
potassium phenylmethylideneazanide
CID 59945790
phenylmethylideneazanide;yttrium
CID 58999598
4-ethenyl-3H-pyridazin-3-ide;yttrium
CID 59857438
magnesium;thiobenzaldehyde;bromide
CID 19909426
2H-naphtho[2,1-e]isoindole
CID 142747457

Frequently Asked Questions

What is the IUPAC name of ethenylbenzene;2H-isoindole;tungsten(2+)?
The IUPAC name of ethenylbenzene;2H-isoindole;tungsten(2+) (CID 161337347) is ethenylbenzene;2H-isoindole;tungsten(2+).
What is the SMILES notation for ethenylbenzene;2H-isoindole;tungsten(2+)?
The canonical SMILES for ethenylbenzene;2H-isoindole;tungsten(2+) is [H]/[C-]=C/c1[c-]cccc1.[W+2].c1ccc2c[nH]cc2c1.
What is the InChIKey of ethenylbenzene;2H-isoindole;tungsten(2+)?
The InChIKey is VXOQSCZHTYLAAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N.C8H6.W/c1-2-4-8-6-9-5-7(8)3-1;1-2-8-6-4-3-5-7-8;/h1-6,9H;1-6H;/q;-2;+2.
What are the key properties of ethenylbenzene;2H-isoindole;tungsten(2+)?
ethenylbenzene;2H-isoindole;tungsten(2+) has a molecular weight of 403.13 g/mol, XLogP of 4.10, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethenylbenzene;2H-isoindole;tungsten(2+) is sourced from PubChem (CID 161337347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).