(3Z)-3-diazo-N-methanidyl-2-oxopropanamide;yttrium

C4H4N3O2Y- — CID 59073252

IUPAC(3Z)-3-diazo-N-methanidyl-2-oxopropanamide;yttrium
SMILES[CH2-]NC(=O)C(=O)C=[N+]=[N-].[Y]
InChIInChI=1S/C4H4N3O2.Y/c1-6-4(9)3(8)2-7-5;/h2H,1H2,(H,6,9);/q-1;
InChIKeyHWYQVZOFNICLMF-UHFFFAOYSA-N
MW215.00 g/mol
LogP-1.24
Rot. Bonds2

About (3Z)-3-diazo-N-methanidyl-2-oxopropanamide;yttrium

(3Z)-3-diazo-N-methanidyl-2-oxopropanamide;yttrium (PubChem CID 59073252) has the molecular formula C4H4N3O2Y- and a molecular weight of 215.00 g/mol. Its IUPAC name is (3Z)-3-diazo-N-methanidyl-2-oxopropanamide;yttrium.

Molecular Properties

Compound Name(3Z)-3-diazo-N-methanidyl-2-oxopropanamide;yttrium
PubChem CID59073252
Molecular FormulaC4H4N3O2Y-
Molecular Weight215.00 g/mol
Exact Mass214.94
IUPAC Name(3Z)-3-diazo-N-methanidyl-2-oxopropanamide;yttrium
SMILES[CH2-]NC(=O)C(=O)C=[N+]=[N-].[Y]
InChIInChI=1S/C4H4N3O2.Y/c1-6-4(9)3(8)2-7-5;/h2H,1H2,(H,6,9);/q-1;
InChIKeyHWYQVZOFNICLMF-UHFFFAOYSA-N
XLogP-1.24
TPSA82.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.00
LogP ≤ 5-1.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3Z)-3-diazo-N-methanidyl-2-oxopropanamide;yttrium?
The IUPAC name of (3Z)-3-diazo-N-methanidyl-2-oxopropanamide;yttrium (CID 59073252) is (3Z)-3-diazo-N-methanidyl-2-oxopropanamide;yttrium.
What is the SMILES notation for (3Z)-3-diazo-N-methanidyl-2-oxopropanamide;yttrium?
The canonical SMILES for (3Z)-3-diazo-N-methanidyl-2-oxopropanamide;yttrium is [CH2-]NC(=O)C(=O)C=[N+]=[N-].[Y].
What is the InChIKey of (3Z)-3-diazo-N-methanidyl-2-oxopropanamide;yttrium?
The InChIKey is HWYQVZOFNICLMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4N3O2.Y/c1-6-4(9)3(8)2-7-5;/h2H,1H2,(H,6,9);/q-1;.
What are the key properties of (3Z)-3-diazo-N-methanidyl-2-oxopropanamide;yttrium?
(3Z)-3-diazo-N-methanidyl-2-oxopropanamide;yttrium has a molecular weight of 215.00 g/mol, XLogP of -1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-diazo-N-methanidyl-2-oxopropanamide;yttrium is sourced from PubChem (CID 59073252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).