actinium;ethane;3-phenylpiperidine-2,6-dione

C13H15AcNO2-2 — CID 176713494

IUPACactinium;ethane;3-phenylpiperidine-2,6-dione
SMILESO=C1CCC(c2cc[c-]cc2)C(=O)N1.[Ac].[CH2-]C
InChIInChI=1S/C11H10NO2.C2H5.Ac/c13-10-7-6-9(11(14)12-10)8-4-2-1-3-5-8;1-2;/h2-5,9H,6-7H2,(H,12,13,14);1H2,2H3;/q2*-1;
InChIKeyFYXMVSAYOKVMDO-UHFFFAOYSA-N
MW444.27 g/mol
LogP1.85
Rot. Bonds1

About actinium;ethane;3-phenylpiperidine-2,6-dione

actinium;ethane;3-phenylpiperidine-2,6-dione (PubChem CID 176713494) has the molecular formula C13H15AcNO2-2 and a molecular weight of 444.27 g/mol. Its IUPAC name is actinium;ethane;3-phenylpiperidine-2,6-dione.

Molecular Properties

Compound Nameactinium;ethane;3-phenylpiperidine-2,6-dione
PubChem CID176713494
Molecular FormulaC13H15AcNO2-2
Molecular Weight444.27 g/mol
Exact Mass444.14
IUPAC Nameactinium;ethane;3-phenylpiperidine-2,6-dione
SMILESO=C1CCC(c2cc[c-]cc2)C(=O)N1.[Ac].[CH2-]C
InChIInChI=1S/C11H10NO2.C2H5.Ac/c13-10-7-6-9(11(14)12-10)8-4-2-1-3-5-8;1-2;/h2-5,9H,6-7H2,(H,12,13,14);1H2,2H3;/q2*-1;
InChIKeyFYXMVSAYOKVMDO-UHFFFAOYSA-N
XLogP1.85
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.27
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(4-methylphenyl)piperidine-2,6-dione
CID 94766924
3-(4-aminophenyl)piperidine-2,6-dione;ethane
CID 177052461
3-[4-(3-oxocyclopentyl)phenyl]piperidine-2,6-dione
CID 166947876
3-[4-[[4-(methylamino)cyclohexyl]amino]phenyl]piperidine-2,6-dione
CID 178015398
2-tert-butyl-5-(2,6-dioxopiperidin-3-yl)benzonitrile
CID 174179956
3-[4-(1-tert-butylpiperidin-4-yl)phenyl]piperidine-2,6-dione
CID 168735277
3-[4-(2,6-dioxopiperidin-3-yl)phenyl]propanal
CID 171098619
3-(4-hexoxyphenyl)piperidine-2,6-dione
CID 172584857
ethane;(3R)-3-phenylpyrrolidine-2,5-dione
CID 91585654
ethane;molecular hydrogen;3-pyridin-3-ylpiperidine-2,6-dione
CID 177198142
CID 177052361
CID 177052361
potassium 3-(anilino)piperidine-2,6-dione
CID 169190282

Frequently Asked Questions

What is the IUPAC name of actinium;ethane;3-phenylpiperidine-2,6-dione?
The IUPAC name of actinium;ethane;3-phenylpiperidine-2,6-dione (CID 176713494) is actinium;ethane;3-phenylpiperidine-2,6-dione.
What is the SMILES notation for actinium;ethane;3-phenylpiperidine-2,6-dione?
The canonical SMILES for actinium;ethane;3-phenylpiperidine-2,6-dione is O=C1CCC(c2cc[c-]cc2)C(=O)N1.[Ac].[CH2-]C.
What is the InChIKey of actinium;ethane;3-phenylpiperidine-2,6-dione?
The InChIKey is FYXMVSAYOKVMDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10NO2.C2H5.Ac/c13-10-7-6-9(11(14)12-10)8-4-2-1-3-5-8;1-2;/h2-5,9H,6-7H2,(H,12,13,14);1H2,2H3;/q2*-1;.
What are the key properties of actinium;ethane;3-phenylpiperidine-2,6-dione?
actinium;ethane;3-phenylpiperidine-2,6-dione has a molecular weight of 444.27 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for actinium;ethane;3-phenylpiperidine-2,6-dione is sourced from PubChem (CID 176713494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).