1-ethenyl-3-methylbenzene-2-ide;vanadium(2+)

C9H8V — CID 58904404

IUPAC1-ethenyl-3-methylbenzene-2-ide;vanadium(2+)
SMILES[H]/[C-]=C/c1[c-]c(C)ccc1.[V+2]
InChIInChI=1S/C9H8.V/c1-3-9-6-4-5-8(2)7-9;/h1,3-6H,2H3;/q-2;+2
InChIKeyQRYJCPIYBHRWKB-UHFFFAOYSA-N
MW167.11 g/mol
LogP2.24
Rot. Bonds1

About 1-ethenyl-3-methylbenzene-2-ide;vanadium(2+)

1-ethenyl-3-methylbenzene-2-ide;vanadium(2+) (PubChem CID 58904404) has the molecular formula C9H8V and a molecular weight of 167.11 g/mol. Its IUPAC name is 1-ethenyl-3-methylbenzene-2-ide;vanadium(2+).

Molecular Properties

Compound Name1-ethenyl-3-methylbenzene-2-ide;vanadium(2+)
PubChem CID58904404
Molecular FormulaC9H8V
Molecular Weight167.11 g/mol
Exact Mass167.01
IUPAC Name1-ethenyl-3-methylbenzene-2-ide;vanadium(2+)
SMILES[H]/[C-]=C/c1[c-]c(C)ccc1.[V+2]
InChIInChI=1S/C9H8.V/c1-3-9-6-4-5-8(2)7-9;/h1,3-6H,2H3;/q-2;+2
InChIKeyQRYJCPIYBHRWKB-UHFFFAOYSA-N
XLogP2.24
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.11
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,3-dimethylbenzene-2-ide;penta-1,3-diene;titanium(4+);dichloride
CID 157310266
1,3-dimethylbenzene-2-ide;iron
CID 175995533
1,3-dimethylbenzene-2-ide;titanium(3+);dichloride
CID 87514740
4-ethenyl-1-methyl-2-(2-methylphenyl)-3H-pyridin-1-ium-3-ide;yttrium
CID 164937411
CID 169301164
CID 169301164
dimagnesium;carbanide;ethenylbenzene;methyl(dioxido)borane;yttrium
CID 161426906
lithium 3-methylbenzene-2-id-1-ol
CID 134894947
gold(1+);3-methylbenzene-2-ide-1-carbothialdehyde;1,3,5-triaza-7-phosphoniatricyclo[3.3.1.13,7]decane
CID 165073434
ethenylbenzene;2H-isoindole;tungsten(2+)
CID 161337347
4-ethenyl-3H-pyridazin-3-ide;yttrium
CID 59857438
1-tert-butyl-3-methylbenzene-2-ide;yttrium
CID 176734878
cerium(3+);ethenylbenzene;dichloride
CID 87670269

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-3-methylbenzene-2-ide;vanadium(2+)?
The IUPAC name of 1-ethenyl-3-methylbenzene-2-ide;vanadium(2+) (CID 58904404) is 1-ethenyl-3-methylbenzene-2-ide;vanadium(2+).
What is the SMILES notation for 1-ethenyl-3-methylbenzene-2-ide;vanadium(2+)?
The canonical SMILES for 1-ethenyl-3-methylbenzene-2-ide;vanadium(2+) is [H]/[C-]=C/c1[c-]c(C)ccc1.[V+2].
What is the InChIKey of 1-ethenyl-3-methylbenzene-2-ide;vanadium(2+)?
The InChIKey is QRYJCPIYBHRWKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8.V/c1-3-9-6-4-5-8(2)7-9;/h1,3-6H,2H3;/q-2;+2.
What are the key properties of 1-ethenyl-3-methylbenzene-2-ide;vanadium(2+)?
1-ethenyl-3-methylbenzene-2-ide;vanadium(2+) has a molecular weight of 167.11 g/mol, XLogP of 2.24, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-3-methylbenzene-2-ide;vanadium(2+) is sourced from PubChem (CID 58904404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).