carbanide;3-(methanidylideneamino)prop-2-enylidenetungsten;yttrium

C5H7NWY-2 — CID 148779405

IUPACcarbanide;3-(methanidylideneamino)prop-2-enylidenetungsten;yttrium
SMILES[CH3-].[H]/[C-]=N/C=CC=[W].[Y]
InChIInChI=1S/C4H4N.CH3.W.Y/c1-3-4-5-2;;;/h1-4H;1H3;;/q2*-1;;
InChIKeySEZBWWPCXWQIJH-UHFFFAOYSA-N
MW353.86 g/mol
LogP0.87
Rot. Bonds2

About carbanide;3-(methanidylideneamino)prop-2-enylidenetungsten;yttrium

carbanide;3-(methanidylideneamino)prop-2-enylidenetungsten;yttrium (PubChem CID 148779405) has the molecular formula C5H7NWY-2 and a molecular weight of 353.86 g/mol. Its IUPAC name is carbanide;3-(methanidylideneamino)prop-2-enylidenetungsten;yttrium.

Molecular Properties

Compound Namecarbanide;3-(methanidylideneamino)prop-2-enylidenetungsten;yttrium
PubChem CID148779405
Molecular FormulaC5H7NWY-2
Molecular Weight353.86 g/mol
Exact Mass353.92
IUPAC Namecarbanide;3-(methanidylideneamino)prop-2-enylidenetungsten;yttrium
SMILES[CH3-].[H]/[C-]=N/C=CC=[W].[Y]
InChIInChI=1S/C4H4N.CH3.W.Y/c1-3-4-5-2;;;/h1-4H;1H3;;/q2*-1;;
InChIKeySEZBWWPCXWQIJH-UHFFFAOYSA-N
XLogP0.87
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.86
LogP ≤ 50.87
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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Frequently Asked Questions

What is the IUPAC name of carbanide;3-(methanidylideneamino)prop-2-enylidenetungsten;yttrium?
The IUPAC name of carbanide;3-(methanidylideneamino)prop-2-enylidenetungsten;yttrium (CID 148779405) is carbanide;3-(methanidylideneamino)prop-2-enylidenetungsten;yttrium.
What is the SMILES notation for carbanide;3-(methanidylideneamino)prop-2-enylidenetungsten;yttrium?
The canonical SMILES for carbanide;3-(methanidylideneamino)prop-2-enylidenetungsten;yttrium is [CH3-].[H]/[C-]=N/C=CC=[W].[Y].
What is the InChIKey of carbanide;3-(methanidylideneamino)prop-2-enylidenetungsten;yttrium?
The InChIKey is SEZBWWPCXWQIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N.CH3.W.Y/c1-3-4-5-2;;;/h1-4H;1H3;;/q2*-1;;.
What are the key properties of carbanide;3-(methanidylideneamino)prop-2-enylidenetungsten;yttrium?
carbanide;3-(methanidylideneamino)prop-2-enylidenetungsten;yttrium has a molecular weight of 353.86 g/mol, XLogP of 0.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for carbanide;3-(methanidylideneamino)prop-2-enylidenetungsten;yttrium is sourced from PubChem (CID 148779405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).