methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C14H18N3O3+ — CID 155746155

IUPACmethylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESC[NH3+].O=C1CCC(N2Cc3ccccc3C2=O)C(=O)N1
InChIInChI=1S/C13H12N2O3.CH5N/c16-11-6-5-10(12(17)14-11)15-7-8-3-1-2-4-9(8)13(15)18;1-2/h1-4,10H,5-7H2,(H,14,16,17);2H2,1H3/p+1
InChIKeyRYQHAOOLUATBHU-UHFFFAOYSA-O
MW276.32 g/mol
LogP-0.69
Rot. Bonds1

About methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 155746155) has the molecular formula C14H18N3O3+ and a molecular weight of 276.32 g/mol. Its IUPAC name is methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Namemethylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID155746155
Molecular FormulaC14H18N3O3+
Molecular Weight276.32 g/mol
Exact Mass276.13
IUPAC Namemethylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESC[NH3+].O=C1CCC(N2Cc3ccccc3C2=O)C(=O)N1
InChIInChI=1S/C13H12N2O3.CH5N/c16-11-6-5-10(12(17)14-11)15-7-8-3-1-2-4-9(8)13(15)18;1-2/h1-4,10H,5-7H2,(H,14,16,17);2H2,1H3/p+1
InChIKeyRYQHAOOLUATBHU-UHFFFAOYSA-O
XLogP-0.69
TPSA94.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.32
LogP ≤ 5-0.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

tetrakis(2,2-dimethylpropane);bis(2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione);bis(3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione)
CID 163449958
3-(3-methylidene-1H-isoindol-2-yl)piperidine-2,6-dione
CID 165027847
3-[6-(2-methylphenyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167767771
2-[2-(2,6-dioxopiperidin-3-yl)-1-oxo-3H-isoindol-5-yl]isoindole-1,3-dione
CID 170628916
4-(2,6-dioxopiperidin-3-yl)-1,3-dihydro-1,4-benzodiazepine-2,5-dione
CID 130431899
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155599247
3-(3-oxo-4-phenyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 156502012
3-(6-hydroxy-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 71517902
3-[6-[methyl(methylidene)-λ4-sulfanyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 177161115
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] hypoiodite
CID 146411045
3-[6-[1-methyl-5-(2-phenylphenyl)pyrazol-4-yl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 171075683
3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163614917

Frequently Asked Questions

What is the IUPAC name of methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 155746155) is methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is C[NH3+].O=C1CCC(N2Cc3ccccc3C2=O)C(=O)N1.
What is the InChIKey of methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is RYQHAOOLUATBHU-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H12N2O3.CH5N/c16-11-6-5-10(12(17)14-11)15-7-8-3-1-2-4-9(8)13(15)18;1-2/h1-4,10H,5-7H2,(H,14,16,17);2H2,1H3/p+1.
What are the key properties of methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 276.32 g/mol, XLogP of -0.69, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 155746155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).