(4-amino-4-azanidylidenebut-2-enylidene)tungsten;propane

C7H13N2W- — CID 158073296

IUPAC(4-amino-4-azanidylidenebut-2-enylidene)tungsten;propane
SMILESCCC.[N-]=C(N)C=CC=[W]
InChIInChI=1S/C4H5N2.C3H8.W/c1-2-3-4(5)6;1-3-2;/h1-3H,(H2-,5,6);3H2,1-2H3;/q-1;;
InChIKeyOZXTVCNSJGTDIX-UHFFFAOYSA-N
MW309.04 g/mol
LogP1.23
Rot. Bonds2

About (4-amino-4-azanidylidenebut-2-enylidene)tungsten;propane

(4-amino-4-azanidylidenebut-2-enylidene)tungsten;propane (PubChem CID 158073296) has the molecular formula C7H13N2W- and a molecular weight of 309.04 g/mol. Its IUPAC name is (4-amino-4-azanidylidenebut-2-enylidene)tungsten;propane.

Molecular Properties

Compound Name(4-amino-4-azanidylidenebut-2-enylidene)tungsten;propane
PubChem CID158073296
Molecular FormulaC7H13N2W-
Molecular Weight309.04 g/mol
Exact Mass309.06
IUPAC Name(4-amino-4-azanidylidenebut-2-enylidene)tungsten;propane
SMILESCCC.[N-]=C(N)C=CC=[W]
InChIInChI=1S/C4H5N2.C3H8.W/c1-2-3-4(5)6;1-3-2;/h1-3H,(H2-,5,6);3H2,1-2H3;/q-1;;
InChIKeyOZXTVCNSJGTDIX-UHFFFAOYSA-N
XLogP1.23
TPSA48.32 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.04
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4-amino-4-azanidylidenebut-2-enylidene)tungsten;propane?
The IUPAC name of (4-amino-4-azanidylidenebut-2-enylidene)tungsten;propane (CID 158073296) is (4-amino-4-azanidylidenebut-2-enylidene)tungsten;propane.
What is the SMILES notation for (4-amino-4-azanidylidenebut-2-enylidene)tungsten;propane?
The canonical SMILES for (4-amino-4-azanidylidenebut-2-enylidene)tungsten;propane is CCC.[N-]=C(N)C=CC=[W].
What is the InChIKey of (4-amino-4-azanidylidenebut-2-enylidene)tungsten;propane?
The InChIKey is OZXTVCNSJGTDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N2.C3H8.W/c1-2-3-4(5)6;1-3-2;/h1-3H,(H2-,5,6);3H2,1-2H3;/q-1;;.
What are the key properties of (4-amino-4-azanidylidenebut-2-enylidene)tungsten;propane?
(4-amino-4-azanidylidenebut-2-enylidene)tungsten;propane has a molecular weight of 309.04 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-4-azanidylidenebut-2-enylidene)tungsten;propane is sourced from PubChem (CID 158073296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).