[(Z)-3-(1-propan-2-yl-4H-imidazol-4-id-5-yl)prop-2-enylidene]tungsten

C9H11N2W- — CID 153454235

IUPAC[(Z)-3-(1-propan-2-yl-4H-imidazol-4-id-5-yl)prop-2-enylidene]tungsten
SMILESCC(C)n1cn[c-]c1/C=C\C=[W]
InChIInChI=1S/C9H11N2.W/c1-4-5-9-6-10-7-11(9)8(2)3;/h1,4-5,7-8H,2-3H3;/q-1;/b5-4-;
InChIKeyDXCOEGAQXKRTAQ-MKWAYWHRSA-N
MW331.04 g/mol
LogP1.63
Rot. Bonds3

About [(Z)-3-(1-propan-2-yl-4H-imidazol-4-id-5-yl)prop-2-enylidene]tungsten

[(Z)-3-(1-propan-2-yl-4H-imidazol-4-id-5-yl)prop-2-enylidene]tungsten (PubChem CID 153454235) has the molecular formula C9H11N2W- and a molecular weight of 331.04 g/mol. Its IUPAC name is [(Z)-3-(1-propan-2-yl-4H-imidazol-4-id-5-yl)prop-2-enylidene]tungsten.

Molecular Properties

Compound Name[(Z)-3-(1-propan-2-yl-4H-imidazol-4-id-5-yl)prop-2-enylidene]tungsten
PubChem CID153454235
Molecular FormulaC9H11N2W-
Molecular Weight331.04 g/mol
Exact Mass331.04
IUPAC Name[(Z)-3-(1-propan-2-yl-4H-imidazol-4-id-5-yl)prop-2-enylidene]tungsten
SMILESCC(C)n1cn[c-]c1/C=C\C=[W]
InChIInChI=1S/C9H11N2.W/c1-4-5-9-6-10-7-11(9)8(2)3;/h1,4-5,7-8H,2-3H3;/q-1;/b5-4-;
InChIKeyDXCOEGAQXKRTAQ-MKWAYWHRSA-N
XLogP1.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.04
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Phenylazanidylmethylideneamino)methylidenetungsten;propane;vanadium(2+)
CID 20752938
N,N-dimethyl-N'-(phenyliminomethyl)methanimidamide;tungsten(2+)
CID 21019641
(5Z,7Z)-3-methyl-9-methylidene-4H-1,3-diazonine
CID 68215782
4-Butylimidazo[1,5-a]pyridin-4-ium
CID 68830232
N-methyl-1-(2-methylidene-1-pyridinyl)methanimine
CID 89288883
6-Methylidene-1-propan-2-ylpyrimidine
CID 89502128
N-butan-2-yl-1-(2-methylidene-1-pyridinyl)methanimine
CID 123279872
1-Ethyl-4-methylidene-5-prop-2-enylideneimidazole
CID 123739949
N-methyl-1-(2-methyl-6-methylidene-1-pyridinyl)methanimine
CID 142119106
1-Penta-1,3-dien-3-yl-4,5-dihydroimidazole
CID 150233910
(4E,5E)-5-ethylidene-1-propan-2-yl-4-prop-2-enylideneimidazole
CID 155378082
(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylimidazole
CID 166881963

Frequently Asked Questions

What is the IUPAC name of [(Z)-3-(1-propan-2-yl-4H-imidazol-4-id-5-yl)prop-2-enylidene]tungsten?
The IUPAC name of [(Z)-3-(1-propan-2-yl-4H-imidazol-4-id-5-yl)prop-2-enylidene]tungsten (CID 153454235) is [(Z)-3-(1-propan-2-yl-4H-imidazol-4-id-5-yl)prop-2-enylidene]tungsten.
What is the SMILES notation for [(Z)-3-(1-propan-2-yl-4H-imidazol-4-id-5-yl)prop-2-enylidene]tungsten?
The canonical SMILES for [(Z)-3-(1-propan-2-yl-4H-imidazol-4-id-5-yl)prop-2-enylidene]tungsten is CC(C)n1cn[c-]c1/C=C\C=[W].
What is the InChIKey of [(Z)-3-(1-propan-2-yl-4H-imidazol-4-id-5-yl)prop-2-enylidene]tungsten?
The InChIKey is DXCOEGAQXKRTAQ-MKWAYWHRSA-N. The full InChI is InChI=1S/C9H11N2.W/c1-4-5-9-6-10-7-11(9)8(2)3;/h1,4-5,7-8H,2-3H3;/q-1;/b5-4-;.
What are the key properties of [(Z)-3-(1-propan-2-yl-4H-imidazol-4-id-5-yl)prop-2-enylidene]tungsten?
[(Z)-3-(1-propan-2-yl-4H-imidazol-4-id-5-yl)prop-2-enylidene]tungsten has a molecular weight of 331.04 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-3-(1-propan-2-yl-4H-imidazol-4-id-5-yl)prop-2-enylidene]tungsten is sourced from PubChem (CID 153454235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).