ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

C16H20N2O3 — CID 155599247

IUPACethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC.Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C14H14N2O3.C2H6/c1-8-2-3-9-7-16(14(19)10(9)6-8)11-4-5-12(17)15-13(11)18;1-2/h2-3,6,11H,4-5,7H2,1H3,(H,15,17,18);1-2H3
InChIKeyLCFWQLPPXCMXIX-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.78
Rot. Bonds1

About ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione

ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 155599247) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID155599247
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nameethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC.Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2
InChIInChI=1S/C14H14N2O3.C2H6/c1-8-2-3-9-7-16(14(19)10(9)6-8)11-4-5-12(17)15-13(11)18;1-2/h2-3,6,11H,4-5,7H2,1H3,(H,15,17,18);1-2H3
InChIKeyLCFWQLPPXCMXIX-UHFFFAOYSA-N
XLogP1.78
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl] hypoiodite
CID 146411045
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-4-methylbenzenesulfonamide
CID 164938613
3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 163614917
(3R)-3-(3-oxo-5-propyl-1H-isoindol-2-yl)piperidine-2,6-dione
CID 174302674
methylazanium;3-(3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione
CID 155746155
3-[5-(aminomethyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 118647025
3-[5-[(2-fluoro-5-methylphenyl)sulfonylmethyl]-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 167604449
2-(2,6-dioxopiperidin-3-yl)-5-methylisoindole-1,3-dione;ethane
CID 142365131
N-[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]-2,2-dimethylpropanamide
CID 166410779
3-[5-(3,3-dihydroxyprop-1-ynyl)-3-oxo-1H-isoindol-2-yl]piperidine-2,6-dione
CID 166855452
N,N'-bis[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]propanediamide
CID 166027073
[2-(2,6-dioxopiperidin-3-yl)-3-oxo-1H-isoindol-5-yl]methyl N-(4-methylphenyl)carbamate
CID 164584202

Frequently Asked Questions

What is the IUPAC name of ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione (CID 155599247) is ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is CC.Cc1ccc2c(c1)C(=O)N(C1CCC(=O)NC1=O)C2.
What is the InChIKey of ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is LCFWQLPPXCMXIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3.C2H6/c1-8-2-3-9-7-16(14(19)10(9)6-8)11-4-5-12(17)15-13(11)18;1-2/h2-3,6,11H,4-5,7H2,1H3,(H,15,17,18);1-2H3.
What are the key properties of ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione?
ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 288.35 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(5-methyl-3-oxo-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 155599247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).