(1E)-2-amino-N-methanidyloxy-2-oxoethanimidoyl cyanide;tungsten

C4H4N3O2W- — CID 162779951

IUPAC(1E)-2-amino-N-methanidyloxy-2-oxoethanimidoyl cyanide;tungsten
SMILES[CH2-]O/N=C(\C#N)C(N)=O.[W]
InChIInChI=1S/C4H4N3O2.W/c1-9-7-3(2-5)4(6)8;/h1H2,(H2,6,8);/q-1;/b7-3+;
InChIKeyKRLYVVIEKPFCEA-CDQVLDCRSA-N
MW309.94 g/mol
LogP-0.84
Rot. Bonds2

About (1E)-2-amino-N-methanidyloxy-2-oxoethanimidoyl cyanide;tungsten

(1E)-2-amino-N-methanidyloxy-2-oxoethanimidoyl cyanide;tungsten (PubChem CID 162779951) has the molecular formula C4H4N3O2W- and a molecular weight of 309.94 g/mol. Its IUPAC name is (1E)-2-amino-N-methanidyloxy-2-oxoethanimidoyl cyanide;tungsten.

Molecular Properties

Compound Name(1E)-2-amino-N-methanidyloxy-2-oxoethanimidoyl cyanide;tungsten
PubChem CID162779951
Molecular FormulaC4H4N3O2W-
Molecular Weight309.94 g/mol
Exact Mass309.98
IUPAC Name(1E)-2-amino-N-methanidyloxy-2-oxoethanimidoyl cyanide;tungsten
SMILES[CH2-]O/N=C(\C#N)C(N)=O.[W]
InChIInChI=1S/C4H4N3O2.W/c1-9-7-3(2-5)4(6)8;/h1H2,(H2,6,8);/q-1;/b7-3+;
InChIKeyKRLYVVIEKPFCEA-CDQVLDCRSA-N
XLogP-0.84
TPSA88.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.94
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-2-amino-N-methanidyloxy-2-oxoethanimidoyl cyanide;tungsten?
The IUPAC name of (1E)-2-amino-N-methanidyloxy-2-oxoethanimidoyl cyanide;tungsten (CID 162779951) is (1E)-2-amino-N-methanidyloxy-2-oxoethanimidoyl cyanide;tungsten.
What is the SMILES notation for (1E)-2-amino-N-methanidyloxy-2-oxoethanimidoyl cyanide;tungsten?
The canonical SMILES for (1E)-2-amino-N-methanidyloxy-2-oxoethanimidoyl cyanide;tungsten is [CH2-]O/N=C(\C#N)C(N)=O.[W].
What is the InChIKey of (1E)-2-amino-N-methanidyloxy-2-oxoethanimidoyl cyanide;tungsten?
The InChIKey is KRLYVVIEKPFCEA-CDQVLDCRSA-N. The full InChI is InChI=1S/C4H4N3O2.W/c1-9-7-3(2-5)4(6)8;/h1H2,(H2,6,8);/q-1;/b7-3+;.
What are the key properties of (1E)-2-amino-N-methanidyloxy-2-oxoethanimidoyl cyanide;tungsten?
(1E)-2-amino-N-methanidyloxy-2-oxoethanimidoyl cyanide;tungsten has a molecular weight of 309.94 g/mol, XLogP of -0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-2-amino-N-methanidyloxy-2-oxoethanimidoyl cyanide;tungsten is sourced from PubChem (CID 162779951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).