2-methyl-5-[(5S)-2,2,5-trimethylmorpholine-4-carbonyl]isoindole-1,3-dione

C17H20N2O4 — CID 136581210

IUPAC2-methyl-5-[(5S)-2,2,5-trimethylmorpholine-4-carbonyl]isoindole-1,3-dione
SMILESC[C@H]1COC(C)(C)CN1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C17H20N2O4/c1-10-8-23-17(2,3)9-19(10)14(20)11-5-6-12-13(7-11)16(22)18(4)15(12)21/h5-7,10H,8-9H2,1-4H3/t10-/m0/s1
InChIKeyYSSHMNSTQLNSCV-JTQLQIEISA-N
MW316.36 g/mol
LogP1.55
Rot. Bonds1

About 2-methyl-5-[(5S)-2,2,5-trimethylmorpholine-4-carbonyl]isoindole-1,3-dione

2-methyl-5-[(5S)-2,2,5-trimethylmorpholine-4-carbonyl]isoindole-1,3-dione (PubChem CID 136581210) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is 2-methyl-5-[(5S)-2,2,5-trimethylmorpholine-4-carbonyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-methyl-5-[(5S)-2,2,5-trimethylmorpholine-4-carbonyl]isoindole-1,3-dione
PubChem CID136581210
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name2-methyl-5-[(5S)-2,2,5-trimethylmorpholine-4-carbonyl]isoindole-1,3-dione
SMILESC[C@H]1COC(C)(C)CN1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O
InChIInChI=1S/C17H20N2O4/c1-10-8-23-17(2,3)9-19(10)14(20)11-5-6-12-13(7-11)16(22)18(4)15(12)21/h5-7,10H,8-9H2,1-4H3/t10-/m0/s1
InChIKeyYSSHMNSTQLNSCV-JTQLQIEISA-N
XLogP1.55
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-methyl-5-[(5S)-2,2,5-trimethylmorpholine-4-carbonyl]isoindole-1,3-dione with MolForge

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Related Compounds

1-(2-methyl-1,3-dioxoisoindole-5-carbonyl)piperidine-4-carboxylic acid
CID 45427138
5-[(2R,3aR,7aS)-2-methyl-2,3,3a,4,5,6,7,7a-octahydroindole-1-carbonyl]-2-methylisoindole-1,3-dione
CID 95771656
5-[2-(aminomethyl)piperidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 119467995
1-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 45427860
N-cyclopentyl-2-methyl-1,3-dioxoisoindole-5-carboxamide
CID 6460881
5-[3-(aminomethyl)pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 119485321
5-[2-[(2-chlorophenyl)methyl]pyrrolidine-1-carbonyl]-2-methylisoindole-1,3-dione
CID 60574866
5-[2-(3-fluorophenyl)piperazine-1-carbonyl]-2-methylisoindole-1,3-dione;hydrochloride
CID 120738086
2-(4-methylphenyl)-5-[(2S)-2-methylpiperidine-1-carbonyl]isoindole-1,3-dione
CID 19132996
2-methyl-5-[4-[2-(4-methylphenyl)ethyl]piperidine-1-carbonyl]isoindole-1,3-dione
CID 46679856
2-methyl-5-(2-methyl-1,3-dioxoisoindol-5-yl)isoindole-1,3-dione
CID 973288
2-methyl-N-[5-[(2-methyl-1,3-dioxoisoindole-5-carbonyl)amino]pentyl]-1,3-dioxoisoindole-5-carboxamide
CID 169211222

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[(5S)-2,2,5-trimethylmorpholine-4-carbonyl]isoindole-1,3-dione?
The IUPAC name of 2-methyl-5-[(5S)-2,2,5-trimethylmorpholine-4-carbonyl]isoindole-1,3-dione (CID 136581210) is 2-methyl-5-[(5S)-2,2,5-trimethylmorpholine-4-carbonyl]isoindole-1,3-dione.
What is the SMILES notation for 2-methyl-5-[(5S)-2,2,5-trimethylmorpholine-4-carbonyl]isoindole-1,3-dione?
The canonical SMILES for 2-methyl-5-[(5S)-2,2,5-trimethylmorpholine-4-carbonyl]isoindole-1,3-dione is C[C@H]1COC(C)(C)CN1C(=O)c1ccc2c(c1)C(=O)N(C)C2=O.
What is the InChIKey of 2-methyl-5-[(5S)-2,2,5-trimethylmorpholine-4-carbonyl]isoindole-1,3-dione?
The InChIKey is YSSHMNSTQLNSCV-JTQLQIEISA-N. The full InChI is InChI=1S/C17H20N2O4/c1-10-8-23-17(2,3)9-19(10)14(20)11-5-6-12-13(7-11)16(22)18(4)15(12)21/h5-7,10H,8-9H2,1-4H3/t10-/m0/s1.
What are the key properties of 2-methyl-5-[(5S)-2,2,5-trimethylmorpholine-4-carbonyl]isoindole-1,3-dione?
2-methyl-5-[(5S)-2,2,5-trimethylmorpholine-4-carbonyl]isoindole-1,3-dione has a molecular weight of 316.36 g/mol, XLogP of 1.55, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[(5S)-2,2,5-trimethylmorpholine-4-carbonyl]isoindole-1,3-dione is sourced from PubChem (CID 136581210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).