actinium;(2S)-4-hydroxypyrrolidin-1-ide-2-carbaldehyde

C5H8AcNO2- — CID 59949251

IUPACactinium;(2S)-4-hydroxypyrrolidin-1-ide-2-carbaldehyde
SMILESO=C[C@@H]1CC(O)C[N-]1.[Ac]
InChIInChI=1S/C5H8NO2.Ac/c7-3-4-1-5(8)2-6-4;/h3-5,8H,1-2H2;/q-1;/t4-,5?;/m0./s1
InChIKeyPNCYFOUEZOLYCK-PHHGQXFYSA-N
MW341.12 g/mol
LogP-0.31
Rot. Bonds1

About actinium;(2S)-4-hydroxypyrrolidin-1-ide-2-carbaldehyde

actinium;(2S)-4-hydroxypyrrolidin-1-ide-2-carbaldehyde (PubChem CID 59949251) has the molecular formula C5H8AcNO2- and a molecular weight of 341.12 g/mol. Its IUPAC name is actinium;(2S)-4-hydroxypyrrolidin-1-ide-2-carbaldehyde.

Molecular Properties

Compound Nameactinium;(2S)-4-hydroxypyrrolidin-1-ide-2-carbaldehyde
PubChem CID59949251
Molecular FormulaC5H8AcNO2-
Molecular Weight341.12 g/mol
Exact Mass341.08
IUPAC Nameactinium;(2S)-4-hydroxypyrrolidin-1-ide-2-carbaldehyde
SMILESO=C[C@@H]1CC(O)C[N-]1.[Ac]
InChIInChI=1S/C5H8NO2.Ac/c7-3-4-1-5(8)2-6-4;/h3-5,8H,1-2H2;/q-1;/t4-,5?;/m0./s1
InChIKeyPNCYFOUEZOLYCK-PHHGQXFYSA-N
XLogP-0.31
TPSA51.40 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.12
LogP ≤ 5-0.31
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 actinium;(2S)-4-hydroxypyrrolidin-1-ide-2-carbaldehyde?
The IUPAC name of actinium;(2S)-4-hydroxypyrrolidin-1-ide-2-carbaldehyde (CID 59949251) is actinium;(2S)-4-hydroxypyrrolidin-1-ide-2-carbaldehyde.
What is the SMILES notation for actinium;(2S)-4-hydroxypyrrolidin-1-ide-2-carbaldehyde?
The canonical SMILES for actinium;(2S)-4-hydroxypyrrolidin-1-ide-2-carbaldehyde is O=C[C@@H]1CC(O)C[N-]1.[Ac].
What is the InChIKey of actinium;(2S)-4-hydroxypyrrolidin-1-ide-2-carbaldehyde?
The InChIKey is PNCYFOUEZOLYCK-PHHGQXFYSA-N. The full InChI is InChI=1S/C5H8NO2.Ac/c7-3-4-1-5(8)2-6-4;/h3-5,8H,1-2H2;/q-1;/t4-,5?;/m0./s1.
What are the key properties of actinium;(2S)-4-hydroxypyrrolidin-1-ide-2-carbaldehyde?
actinium;(2S)-4-hydroxypyrrolidin-1-ide-2-carbaldehyde has a molecular weight of 341.12 g/mol, XLogP of -0.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;(2S)-4-hydroxypyrrolidin-1-ide-2-carbaldehyde is sourced from PubChem (CID 59949251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).