[2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten

C8H13NW — CID 171733590

IUPAC[2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten
SMILESC=C/C=N\C(=[W])C(C)(C)C
InChIInChI=1S/C8H13N.W/c1-5-6-9-7-8(2,3)4;/h5-6H,1H2,2-4H3;
InChIKeyYLPITNBXAFNWCR-UHFFFAOYSA-N
MW307.04 g/mol
LogP1.97
Rot. Bonds2

About [2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten

[2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten (PubChem CID 171733590) has the molecular formula C8H13NW and a molecular weight of 307.04 g/mol. Its IUPAC name is [2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten.

Molecular Properties

Compound Name[2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten
PubChem CID171733590
Molecular FormulaC8H13NW
Molecular Weight307.04 g/mol
Exact Mass307.06
IUPAC Name[2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten
SMILESC=C/C=N\C(=[W])C(C)(C)C
InChIInChI=1S/C8H13N.W/c1-5-6-9-7-8(2,3)4;/h5-6H,1H2,2-4H3;
InChIKeyYLPITNBXAFNWCR-UHFFFAOYSA-N
XLogP1.97
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.04
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten?
The IUPAC name of [2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten (CID 171733590) is [2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten.
What is the SMILES notation for [2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten?
The canonical SMILES for [2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten is C=C/C=N\C(=[W])C(C)(C)C.
What is the InChIKey of [2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten?
The InChIKey is YLPITNBXAFNWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N.W/c1-5-6-9-7-8(2,3)4;/h5-6H,1H2,2-4H3;.
What are the key properties of [2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten?
[2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten has a molecular weight of 307.04 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,2-dimethyl-1-(prop-2-enylideneamino)propylidene]tungsten is sourced from PubChem (CID 171733590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).