deuterioformate;tetradeuterioazanium

CH5NO2 — CID 90474510

IUPACdeuterioformate;tetradeuterioazanium
SMILES[2H]C(=O)[O-].[2H][N+]([2H])([2H])[2H]
InChIInChI=1S/CH2O2.H3N/c2-1-3;/h1H,(H,2,3);1H3/i1D;/hD4
InChIKeyVZTDIZULWFCMLS-AQOVZKNZSA-N
MW68.09 g/mol
LogP-1.26
Rot. Bonds

About deuterioformate;tetradeuterioazanium

deuterioformate;tetradeuterioazanium (PubChem CID 90474510) has the molecular formula CH5NO2 and a molecular weight of 68.09 g/mol. Its IUPAC name is deuterioformate;tetradeuterioazanium.

Molecular Properties

Compound Namedeuterioformate;tetradeuterioazanium
PubChem CID90474510
Molecular FormulaCH5NO2
Molecular Weight68.09 g/mol
Exact Mass68.06
IUPAC Namedeuterioformate;tetradeuterioazanium
SMILES[2H]C(=O)[O-].[2H][N+]([2H])([2H])[2H]
InChIInChI=1S/CH2O2.H3N/c2-1-3;/h1H,(H,2,3);1H3/i1D;/hD4
InChIKeyVZTDIZULWFCMLS-AQOVZKNZSA-N
XLogP-1.26
TPSA76.63 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50068.09
LogP ≤ 5-1.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of deuterioformate;tetradeuterioazanium?
The IUPAC name of deuterioformate;tetradeuterioazanium (CID 90474510) is deuterioformate;tetradeuterioazanium.
What is the SMILES notation for deuterioformate;tetradeuterioazanium?
The canonical SMILES for deuterioformate;tetradeuterioazanium is [2H]C(=O)[O-].[2H][N+]([2H])([2H])[2H].
What is the InChIKey of deuterioformate;tetradeuterioazanium?
The InChIKey is VZTDIZULWFCMLS-AQOVZKNZSA-N. The full InChI is InChI=1S/CH2O2.H3N/c2-1-3;/h1H,(H,2,3);1H3/i1D;/hD4.
What are the key properties of deuterioformate;tetradeuterioazanium?
deuterioformate;tetradeuterioazanium has a molecular weight of 68.09 g/mol, XLogP of -1.26, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for deuterioformate;tetradeuterioazanium is sourced from PubChem (CID 90474510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).