2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isoindole-1,3-dione

C15H19N2O3+ — CID 6922378

IUPAC2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isoindole-1,3-dione
SMILESC[C@H]1C[NH+](CN2C(=O)c3ccccc3C2=O)C[C@H](C)O1
InChIInChI=1S/C15H18N2O3/c1-10-7-16(8-11(2)20-10)9-17-14(18)12-5-3-4-6-13(12)15(17)19/h3-6,10-11H,7-9H2,1-2H3/p+1/t10-,11-/m0/s1
InChIKeyYPRUCGBHEMKYKZ-QWRGUYRKSA-O
MW275.33 g/mol
LogP-0.07
Rot. Bonds2

About 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isoindole-1,3-dione

2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isoindole-1,3-dione (PubChem CID 6922378) has the molecular formula C15H19N2O3+ and a molecular weight of 275.33 g/mol. Its IUPAC name is 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isoindole-1,3-dione
PubChem CID6922378
Molecular FormulaC15H19N2O3+
Molecular Weight275.33 g/mol
Exact Mass275.14
IUPAC Name2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isoindole-1,3-dione
SMILESC[C@H]1C[NH+](CN2C(=O)c3ccccc3C2=O)C[C@H](C)O1
InChIInChI=1S/C15H18N2O3/c1-10-7-16(8-11(2)20-10)9-17-14(18)12-5-3-4-6-13(12)15(17)19/h3-6,10-11H,7-9H2,1-2H3/p+1/t10-,11-/m0/s1
InChIKeyYPRUCGBHEMKYKZ-QWRGUYRKSA-O
XLogP-0.07
TPSA51.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.33
LogP ≤ 5-0.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isoindole-1,3-dione with MolForge

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Related Compounds

2-(morpholin-4-ium-4-ylmethyl)isoindole-1,3-dione
CID 3462694
1-[[(2S,6R)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]-3-naphthalen-2-yliminoindol-2-one
CID 7272314
1-[(2,6-dimethylmorpholin-4-ium-4-yl)methyl]-3-(3,4-dimethylphenyl)iminoindol-2-one
CID 4174637
2-ethylisoindole-1,3-dione;2-methyloxirane
CID 160821291
2-[(4-benzylpiperazine-1,4-diium-1-yl)methyl]isoindole-1,3-dione
CID 6922522
2-[(2,6-dimethylpiperidin-1-yl)methyl]isoindole-1,3-dione
CID 19133035
2-[[4-[(4,5-dimethoxy-2-methylphenyl)methyl]piperazine-1,4-diium-1-yl]methyl]isoindole-1,3-dione
CID 9284883
(2R,6R)-2,6-dimethyl-4-(2-phenylsulfanylethyl)morpholin-4-ium
CID 7380571
2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione
CID 8557612
(2R,6S)-2,6-dimethyl-4-[4-(2-phenylphenoxy)butyl]morpholin-4-ium
CID 7413622
2-[(3,3-dimethyloxiran-2-yl)methyl]isoindole-1,3-dione
CID 117064119
1-[[4-[(2,3-dioxoindol-1-yl)methyl]piperazine-1,4-diium-1-yl]methyl]indole-2,3-dione
CID 7024887

Frequently Asked Questions

What is the IUPAC name of 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isoindole-1,3-dione?
The IUPAC name of 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isoindole-1,3-dione (CID 6922378) is 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isoindole-1,3-dione?
The canonical SMILES for 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isoindole-1,3-dione is C[C@H]1C[NH+](CN2C(=O)c3ccccc3C2=O)C[C@H](C)O1.
What is the InChIKey of 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isoindole-1,3-dione?
The InChIKey is YPRUCGBHEMKYKZ-QWRGUYRKSA-O. The full InChI is InChI=1S/C15H18N2O3/c1-10-7-16(8-11(2)20-10)9-17-14(18)12-5-3-4-6-13(12)15(17)19/h3-6,10-11H,7-9H2,1-2H3/p+1/t10-,11-/m0/s1.
What are the key properties of 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isoindole-1,3-dione?
2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isoindole-1,3-dione has a molecular weight of 275.33 g/mol, XLogP of -0.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S,6S)-2,6-dimethylmorpholin-4-ium-4-yl]methyl]isoindole-1,3-dione is sourced from PubChem (CID 6922378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).