N-(3,6-dimethylcyclohexa-1,4-dien-1-yl)ethanimine;tungsten(2+)

C10H13NW — CID 58975923

IUPACN-(3,6-dimethylcyclohexa-1,4-dien-1-yl)ethanimine;tungsten(2+)
SMILESC/[C-]=N/C1=[C-]C(C)C=CC1C.[W+2]
InChIInChI=1S/C10H13N.W/c1-4-11-10-7-8(2)5-6-9(10)3;/h5-6,8-9H,1-3H3;/q-2;+2
InChIKeyJHYSZKBAESKTFG-UHFFFAOYSA-N
MW331.06 g/mol
LogP2.48
Rot. Bonds1

About N-(3,6-dimethylcyclohexa-1,4-dien-1-yl)ethanimine;tungsten(2+)

N-(3,6-dimethylcyclohexa-1,4-dien-1-yl)ethanimine;tungsten(2+) (PubChem CID 58975923) has the molecular formula C10H13NW and a molecular weight of 331.06 g/mol. Its IUPAC name is N-(3,6-dimethylcyclohexa-1,4-dien-1-yl)ethanimine;tungsten(2+).

Molecular Properties

Compound NameN-(3,6-dimethylcyclohexa-1,4-dien-1-yl)ethanimine;tungsten(2+)
PubChem CID58975923
Molecular FormulaC10H13NW
Molecular Weight331.06 g/mol
Exact Mass331.06
IUPAC NameN-(3,6-dimethylcyclohexa-1,4-dien-1-yl)ethanimine;tungsten(2+)
SMILESC/[C-]=N/C1=[C-]C(C)C=CC1C.[W+2]
InChIInChI=1S/C10H13N.W/c1-4-11-10-7-8(2)5-6-9(10)3;/h5-6,8-9H,1-3H3;/q-2;+2
InChIKeyJHYSZKBAESKTFG-UHFFFAOYSA-N
XLogP2.48
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.06
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-dimethylcyclohexa-1,4-dien-1-yl)ethanimine;tungsten(2+)?
The IUPAC name of N-(3,6-dimethylcyclohexa-1,4-dien-1-yl)ethanimine;tungsten(2+) (CID 58975923) is N-(3,6-dimethylcyclohexa-1,4-dien-1-yl)ethanimine;tungsten(2+).
What is the SMILES notation for N-(3,6-dimethylcyclohexa-1,4-dien-1-yl)ethanimine;tungsten(2+)?
The canonical SMILES for N-(3,6-dimethylcyclohexa-1,4-dien-1-yl)ethanimine;tungsten(2+) is C/[C-]=N/C1=[C-]C(C)C=CC1C.[W+2].
What is the InChIKey of N-(3,6-dimethylcyclohexa-1,4-dien-1-yl)ethanimine;tungsten(2+)?
The InChIKey is JHYSZKBAESKTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N.W/c1-4-11-10-7-8(2)5-6-9(10)3;/h5-6,8-9H,1-3H3;/q-2;+2.
What are the key properties of N-(3,6-dimethylcyclohexa-1,4-dien-1-yl)ethanimine;tungsten(2+)?
N-(3,6-dimethylcyclohexa-1,4-dien-1-yl)ethanimine;tungsten(2+) has a molecular weight of 331.06 g/mol, XLogP of 2.48, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-dimethylcyclohexa-1,4-dien-1-yl)ethanimine;tungsten(2+) is sourced from PubChem (CID 58975923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).