2-amino-1-tritioethanone

C2H5NO — CID 123742496

IUPAC2-amino-1-tritioethanone
SMILES[3H]C(=O)CN
InChIInChI=1S/C2H5NO/c3-1-2-4/h2H,1,3H2/i2T
InChIKeyLYIIBVSRGJSHAV-FUPOQFPWSA-N
MW61.08 g/mol
LogP-0.86
Rot. Bonds1

About 2-amino-1-tritioethanone

2-amino-1-tritioethanone (PubChem CID 123742496) has the molecular formula C2H5NO and a molecular weight of 61.08 g/mol. Its IUPAC name is 2-amino-1-tritioethanone.

Molecular Properties

Compound Name2-amino-1-tritioethanone
PubChem CID123742496
Molecular FormulaC2H5NO
Molecular Weight61.08 g/mol
Exact Mass61.05
IUPAC Name2-amino-1-tritioethanone
SMILES[3H]C(=O)CN
InChIInChI=1S/C2H5NO/c3-1-2-4/h2H,1,3H2/i2T
InChIKeyLYIIBVSRGJSHAV-FUPOQFPWSA-N
XLogP-0.86
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50061.08
LogP ≤ 5-0.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

aluminum 2-aminoacetaldehyde
CID 18366339
2-aminoacetaldehyde;methanediamine
CID 163797808
ethane-1,2-diamine;formamide
CID 19935247
(Z)-5-aminopent-3-enoic acid;hydrochloride
CID 51051211
2-aminoacetaldehyde;molecular hydrogen;propane
CID 162518471
2-aminoacetaldehyde;deuteride;deuterioethane;ethane;methane
CID 159516674
2-amino-2-nitroacetaldehyde
CID 91277693
3-aminoprop-1-ene-1-thiol
CID 173002816
N-(aminomethyl)-N-formylformamide
CID 158356927
acetaldehyde;ethanamine;ethane;propane
CID 158850439
3-amino-2-methylsulfanylpropanal
CID 147057489
2-aminoacetaldehyde;2,2,2-trifluoroacetic acid
CID 171923069

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-tritioethanone?
The IUPAC name of 2-amino-1-tritioethanone (CID 123742496) is 2-amino-1-tritioethanone.
What is the SMILES notation for 2-amino-1-tritioethanone?
The canonical SMILES for 2-amino-1-tritioethanone is [3H]C(=O)CN.
What is the InChIKey of 2-amino-1-tritioethanone?
The InChIKey is LYIIBVSRGJSHAV-FUPOQFPWSA-N. The full InChI is InChI=1S/C2H5NO/c3-1-2-4/h2H,1,3H2/i2T.
What are the key properties of 2-amino-1-tritioethanone?
2-amino-1-tritioethanone has a molecular weight of 61.08 g/mol, XLogP of -0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-tritioethanone is sourced from PubChem (CID 123742496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).