(phenylazanidylmethylideneamino)methylidenetungsten;propane;vanadium(2+)

C11H13N2VW- — CID 20752938

IUPAC(phenylazanidylmethylideneamino)methylidenetungsten;propane;vanadium(2+)
SMILES[CH2-]CC.[V+2].[W]=C/N=C\[N-]c1c[c-]ccc1
InChIInChI=1S/C8H6N2.C3H7.V.W/c1-9-7-10-8-5-3-2-4-6-8;1-3-2;;/h1-3,5-7H;1,3H2,2H3;;/q-2;-1;+2;
InChIKeyNZMASIDUOQYFDD-UHFFFAOYSA-N
MW408.02 g/mol
LogP3.05
Rot. Bonds3

About (phenylazanidylmethylideneamino)methylidenetungsten;propane;vanadium(2+)

(phenylazanidylmethylideneamino)methylidenetungsten;propane;vanadium(2+) (PubChem CID 20752938) has the molecular formula C11H13N2VW- and a molecular weight of 408.02 g/mol. Its IUPAC name is (phenylazanidylmethylideneamino)methylidenetungsten;propane;vanadium(2+).

Molecular Properties

Compound Name(phenylazanidylmethylideneamino)methylidenetungsten;propane;vanadium(2+)
PubChem CID20752938
Molecular FormulaC11H13N2VW-
Molecular Weight408.02 g/mol
Exact Mass408.00
IUPAC Name(phenylazanidylmethylideneamino)methylidenetungsten;propane;vanadium(2+)
SMILES[CH2-]CC.[V+2].[W]=C/N=C\[N-]c1c[c-]ccc1
InChIInChI=1S/C8H6N2.C3H7.V.W/c1-9-7-10-8-5-3-2-4-6-8;1-3-2;;/h1-3,5-7H;1,3H2,2H3;;/q-2;-1;+2;
InChIKeyNZMASIDUOQYFDD-UHFFFAOYSA-N
XLogP3.05
TPSA26.46 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.02
LogP ≤ 53.05
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': 'imine_2', 'substructure': 'N/A'}

Analyze (phenylazanidylmethylideneamino)methylidenetungsten;propane;vanadium(2+) with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-N'-(phenyliminomethyl)methanimidamide;tungsten(2+)
CID 21019641
N-methyl-1-(2-methylidene-1-pyridinyl)methanimine
CID 89288883
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)imidazole
CID 130427315
(5E)-1-methyl-4-methylidene-5-prop-2-enylideneimidazole
CID 141977984
N-methyl-1-(2-methyl-6-methylidene-1-pyridinyl)methanimine
CID 142119106
(4E,5E)-4-ethylidene-1-methyl-5-prop-2-enylideneimidazole
CID 143453290
ethane;(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)imidazole
CID 143678848
ethane;N-methyl-1-(2-methylidene-1-pyridinyl)methanimine
CID 143900045
(3aE,5Z,7Z,9E)-3-methylcycloocta[d]imidazole
CID 144035995
(4E,5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-prop-2-enylideneimidazole
CID 145094928
[(Z)-3-(1-propan-2-yl-4H-imidazol-4-id-5-yl)prop-2-enylidene]tungsten
CID 153454235
1,4-Dimethyl-6-methylidenepyrimidine
CID 156232461

Frequently Asked Questions

What is the IUPAC name of (phenylazanidylmethylideneamino)methylidenetungsten;propane;vanadium(2+)?
The IUPAC name of (phenylazanidylmethylideneamino)methylidenetungsten;propane;vanadium(2+) (CID 20752938) is (phenylazanidylmethylideneamino)methylidenetungsten;propane;vanadium(2+).
What is the SMILES notation for (phenylazanidylmethylideneamino)methylidenetungsten;propane;vanadium(2+)?
The canonical SMILES for (phenylazanidylmethylideneamino)methylidenetungsten;propane;vanadium(2+) is [CH2-]CC.[V+2].[W]=C/N=C\[N-]c1c[c-]ccc1.
What is the InChIKey of (phenylazanidylmethylideneamino)methylidenetungsten;propane;vanadium(2+)?
The InChIKey is NZMASIDUOQYFDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6N2.C3H7.V.W/c1-9-7-10-8-5-3-2-4-6-8;1-3-2;;/h1-3,5-7H;1,3H2,2H3;;/q-2;-1;+2;.
What are the key properties of (phenylazanidylmethylideneamino)methylidenetungsten;propane;vanadium(2+)?
(phenylazanidylmethylideneamino)methylidenetungsten;propane;vanadium(2+) has a molecular weight of 408.02 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (phenylazanidylmethylideneamino)methylidenetungsten;propane;vanadium(2+) is sourced from PubChem (CID 20752938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).