N-(3-methylbenzene-2-id-1-yl)propan-1-imine;tungsten(2+)

C10H11NW — CID 59659054

IUPACN-(3-methylbenzene-2-id-1-yl)propan-1-imine;tungsten(2+)
SMILESCC/[C-]=N/c1[c-]c(C)ccc1.[W+2]
InChIInChI=1S/C10H11N.W/c1-3-7-11-10-6-4-5-9(2)8-10;/h4-6H,3H2,1-2H3;/q-2;+2
InChIKeySIRXWZFKZCIKOG-UHFFFAOYSA-N
MW329.05 g/mol
LogP2.78
Rot. Bonds2

About N-(3-methylbenzene-2-id-1-yl)propan-1-imine;tungsten(2+)

N-(3-methylbenzene-2-id-1-yl)propan-1-imine;tungsten(2+) (PubChem CID 59659054) has the molecular formula C10H11NW and a molecular weight of 329.05 g/mol. Its IUPAC name is N-(3-methylbenzene-2-id-1-yl)propan-1-imine;tungsten(2+).

Molecular Properties

Compound NameN-(3-methylbenzene-2-id-1-yl)propan-1-imine;tungsten(2+)
PubChem CID59659054
Molecular FormulaC10H11NW
Molecular Weight329.05 g/mol
Exact Mass329.04
IUPAC NameN-(3-methylbenzene-2-id-1-yl)propan-1-imine;tungsten(2+)
SMILESCC/[C-]=N/c1[c-]c(C)ccc1.[W+2]
InChIInChI=1S/C10H11N.W/c1-3-7-11-10-6-4-5-9(2)8-10;/h4-6H,3H2,1-2H3;/q-2;+2
InChIKeySIRXWZFKZCIKOG-UHFFFAOYSA-N
XLogP2.78
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.05
LogP ≤ 52.78
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'}

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Related Compounds

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2,2-Dimethylcarbazole
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2-methyl-5H-indole
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methylbenzene;N-phenylmethanimine;tungsten;tungsten(2+)
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CID 20652965
N-(2-methylbenzene-6-id-1-yl)ethanimine;vanadium(2+)
CID 20652967
N-(2,5-dimethylbenzene-6-id-1-yl)ethanimine;uranium(2+)
CID 23395152
2-methyl-6H-cyclopenta[b]pyridine
CID 53690773

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbenzene-2-id-1-yl)propan-1-imine;tungsten(2+)?
The IUPAC name of N-(3-methylbenzene-2-id-1-yl)propan-1-imine;tungsten(2+) (CID 59659054) is N-(3-methylbenzene-2-id-1-yl)propan-1-imine;tungsten(2+).
What is the SMILES notation for N-(3-methylbenzene-2-id-1-yl)propan-1-imine;tungsten(2+)?
The canonical SMILES for N-(3-methylbenzene-2-id-1-yl)propan-1-imine;tungsten(2+) is CC/[C-]=N/c1[c-]c(C)ccc1.[W+2].
What is the InChIKey of N-(3-methylbenzene-2-id-1-yl)propan-1-imine;tungsten(2+)?
The InChIKey is SIRXWZFKZCIKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N.W/c1-3-7-11-10-6-4-5-9(2)8-10;/h4-6H,3H2,1-2H3;/q-2;+2.
What are the key properties of N-(3-methylbenzene-2-id-1-yl)propan-1-imine;tungsten(2+)?
N-(3-methylbenzene-2-id-1-yl)propan-1-imine;tungsten(2+) has a molecular weight of 329.05 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbenzene-2-id-1-yl)propan-1-imine;tungsten(2+) is sourced from PubChem (CID 59659054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).