1-(trideuteriomethyl)aziridine

C3H7N — CID 123923638

IUPAC1-(trideuteriomethyl)aziridine
SMILES[2H]C([2H])([2H])N1CC1
InChIInChI=1S/C3H7N/c1-4-2-3-4/h2-3H2,1H3/i1D3
InChIKeyXLJQPXVBQNJNLW-FIBGUPNXSA-N
MW60.11 g/mol
LogP-0.07
Rot. Bonds1

About 1-(trideuteriomethyl)aziridine

1-(trideuteriomethyl)aziridine (PubChem CID 123923638) has the molecular formula C3H7N and a molecular weight of 60.11 g/mol. Its IUPAC name is 1-(trideuteriomethyl)aziridine.

Molecular Properties

Compound Name1-(trideuteriomethyl)aziridine
PubChem CID123923638
Molecular FormulaC3H7N
Molecular Weight60.11 g/mol
Exact Mass60.08
IUPAC Name1-(trideuteriomethyl)aziridine
SMILES[2H]C([2H])([2H])N1CC1
InChIInChI=1S/C3H7N/c1-4-2-3-4/h2-3H2,1H3/i1D3
InChIKeyXLJQPXVBQNJNLW-FIBGUPNXSA-N
XLogP-0.07
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50060.11
LogP ≤ 5-0.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 1-(trideuteriomethyl)aziridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(trideuteriomethyl)aziridine?
The IUPAC name of 1-(trideuteriomethyl)aziridine (CID 123923638) is 1-(trideuteriomethyl)aziridine.
What is the SMILES notation for 1-(trideuteriomethyl)aziridine?
The canonical SMILES for 1-(trideuteriomethyl)aziridine is [2H]C([2H])([2H])N1CC1.
What is the InChIKey of 1-(trideuteriomethyl)aziridine?
The InChIKey is XLJQPXVBQNJNLW-FIBGUPNXSA-N. The full InChI is InChI=1S/C3H7N/c1-4-2-3-4/h2-3H2,1H3/i1D3.
What are the key properties of 1-(trideuteriomethyl)aziridine?
1-(trideuteriomethyl)aziridine has a molecular weight of 60.11 g/mol, XLogP of -0.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trideuteriomethyl)aziridine is sourced from PubChem (CID 123923638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).