[(2S,5S)-3-ethanimidoyl-5-tritiooxolan-2-yl]methanol

C7H13NO2 — CID 89172428

IUPAC[(2S,5S)-3-ethanimidoyl-5-tritiooxolan-2-yl]methanol
SMILES[H]/N=C(\C)C1C[C@H]([3H])O[C@@H]1CO
InChIInChI=1S/C7H13NO2/c1-5(8)6-2-3-10-7(6)4-9/h6-9H,2-4H2,1H3/b8-5+/t6?,7-/m1/s1/i3T/t3-,6?,7+/m0
InChIKeyGBQFGILYFFOYDJ-XJYSRHOZSA-N
MW145.19 g/mol
LogP0.42
Rot. Bonds2

About [(2S,5S)-3-ethanimidoyl-5-tritiooxolan-2-yl]methanol

[(2S,5S)-3-ethanimidoyl-5-tritiooxolan-2-yl]methanol (PubChem CID 89172428) has the molecular formula C7H13NO2 and a molecular weight of 145.19 g/mol. Its IUPAC name is [(2S,5S)-3-ethanimidoyl-5-tritiooxolan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,5S)-3-ethanimidoyl-5-tritiooxolan-2-yl]methanol
PubChem CID89172428
Molecular FormulaC7H13NO2
Molecular Weight145.19 g/mol
Exact Mass145.10
IUPAC Name[(2S,5S)-3-ethanimidoyl-5-tritiooxolan-2-yl]methanol
SMILES[H]/N=C(\C)C1C[C@H]([3H])O[C@@H]1CO
InChIInChI=1S/C7H13NO2/c1-5(8)6-2-3-10-7(6)4-9/h6-9H,2-4H2,1H3/b8-5+/t6?,7-/m1/s1/i3T/t3-,6?,7+/m0
InChIKeyGBQFGILYFFOYDJ-XJYSRHOZSA-N
XLogP0.42
TPSA53.31 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.19
LogP ≤ 50.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,5S)-3-ethanimidoyl-5-tritiooxolan-2-yl]methanol?
The IUPAC name of [(2S,5S)-3-ethanimidoyl-5-tritiooxolan-2-yl]methanol (CID 89172428) is [(2S,5S)-3-ethanimidoyl-5-tritiooxolan-2-yl]methanol.
What is the SMILES notation for [(2S,5S)-3-ethanimidoyl-5-tritiooxolan-2-yl]methanol?
The canonical SMILES for [(2S,5S)-3-ethanimidoyl-5-tritiooxolan-2-yl]methanol is [H]/N=C(\C)C1C[C@H]([3H])O[C@@H]1CO.
What is the InChIKey of [(2S,5S)-3-ethanimidoyl-5-tritiooxolan-2-yl]methanol?
The InChIKey is GBQFGILYFFOYDJ-XJYSRHOZSA-N. The full InChI is InChI=1S/C7H13NO2/c1-5(8)6-2-3-10-7(6)4-9/h6-9H,2-4H2,1H3/b8-5+/t6?,7-/m1/s1/i3T/t3-,6?,7+/m0.
What are the key properties of [(2S,5S)-3-ethanimidoyl-5-tritiooxolan-2-yl]methanol?
[(2S,5S)-3-ethanimidoyl-5-tritiooxolan-2-yl]methanol has a molecular weight of 145.19 g/mol, XLogP of 0.42, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,5S)-3-ethanimidoyl-5-tritiooxolan-2-yl]methanol is sourced from PubChem (CID 89172428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).