formylazanide;scandium

C2H4N2O2Sc-2 — CID 87733067

IUPACformylazanide;scandium
SMILES[NH-]C=O.[NH-]C=O.[Sc]
InChIInChI=1S/2CH3NO.Sc/c2*2-1-3;/h2*1H,(H2,2,3);/p-2
InChIKeyAHSUEWZAIHGMQQ-UHFFFAOYSA-L
MW133.02 g/mol
LogP0.39
Rot. Bonds

About formylazanide;scandium

formylazanide;scandium (PubChem CID 87733067) has the molecular formula C2H4N2O2Sc-2 and a molecular weight of 133.02 g/mol. Its IUPAC name is formylazanide;scandium.

Molecular Properties

Compound Nameformylazanide;scandium
PubChem CID87733067
Molecular FormulaC2H4N2O2Sc-2
Molecular Weight133.02 g/mol
Exact Mass132.98
IUPAC Nameformylazanide;scandium
SMILES[NH-]C=O.[NH-]C=O.[Sc]
InChIInChI=1S/2CH3NO.Sc/c2*2-1-3;/h2*1H,(H2,2,3);/p-2
InChIKeyAHSUEWZAIHGMQQ-UHFFFAOYSA-L
XLogP0.39
TPSA81.74 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.02
LogP ≤ 50.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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acetaldehyde
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oxaldehyde;trihydrate
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3-oxopropanoyl cyanide
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acetaldehyde;acetonitrile
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CID 174962548

Frequently Asked Questions

What is the IUPAC name of formylazanide;scandium?
The IUPAC name of formylazanide;scandium (CID 87733067) is formylazanide;scandium.
What is the SMILES notation for formylazanide;scandium?
The canonical SMILES for formylazanide;scandium is [NH-]C=O.[NH-]C=O.[Sc].
What is the InChIKey of formylazanide;scandium?
The InChIKey is AHSUEWZAIHGMQQ-UHFFFAOYSA-L. The full InChI is InChI=1S/2CH3NO.Sc/c2*2-1-3;/h2*1H,(H2,2,3);/p-2.
What are the key properties of formylazanide;scandium?
formylazanide;scandium has a molecular weight of 133.02 g/mol, XLogP of 0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for formylazanide;scandium is sourced from PubChem (CID 87733067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).