actinium;pyrrolidin-1-ide-2-carbaldehyde

C5H8AcNO- — CID 20648813

IUPACactinium;pyrrolidin-1-ide-2-carbaldehyde
SMILESO=CC1CCC[N-]1.[Ac]
InChIInChI=1S/C5H8NO.Ac/c7-4-5-2-1-3-6-5;/h4-5H,1-3H2;/q-1;
InChIKeyMHLRSSVBGFOQIR-UHFFFAOYSA-N
MW325.13 g/mol
LogP0.72
Rot. Bonds1

About actinium;pyrrolidin-1-ide-2-carbaldehyde

actinium;pyrrolidin-1-ide-2-carbaldehyde (PubChem CID 20648813) has the molecular formula C5H8AcNO- and a molecular weight of 325.13 g/mol. Its IUPAC name is actinium;pyrrolidin-1-ide-2-carbaldehyde.

Molecular Properties

Compound Nameactinium;pyrrolidin-1-ide-2-carbaldehyde
PubChem CID20648813
Molecular FormulaC5H8AcNO-
Molecular Weight325.13 g/mol
Exact Mass325.09
IUPAC Nameactinium;pyrrolidin-1-ide-2-carbaldehyde
SMILESO=CC1CCC[N-]1.[Ac]
InChIInChI=1S/C5H8NO.Ac/c7-4-5-2-1-3-6-5;/h4-5H,1-3H2;/q-1;
InChIKeyMHLRSSVBGFOQIR-UHFFFAOYSA-N
XLogP0.72
TPSA31.17 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.13
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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;pyrrolidin-1-ide-2-carbaldehyde?
The IUPAC name of actinium;pyrrolidin-1-ide-2-carbaldehyde (CID 20648813) is actinium;pyrrolidin-1-ide-2-carbaldehyde.
What is the SMILES notation for actinium;pyrrolidin-1-ide-2-carbaldehyde?
The canonical SMILES for actinium;pyrrolidin-1-ide-2-carbaldehyde is O=CC1CCC[N-]1.[Ac].
What is the InChIKey of actinium;pyrrolidin-1-ide-2-carbaldehyde?
The InChIKey is MHLRSSVBGFOQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8NO.Ac/c7-4-5-2-1-3-6-5;/h4-5H,1-3H2;/q-1;.
What are the key properties of actinium;pyrrolidin-1-ide-2-carbaldehyde?
actinium;pyrrolidin-1-ide-2-carbaldehyde has a molecular weight of 325.13 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;pyrrolidin-1-ide-2-carbaldehyde is sourced from PubChem (CID 20648813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).