piperidine-2,6-dione;4-propan-2-yl-2,3-dihydroisoindol-1-one

C16H20N2O3 — CID 156794502

IUPACpiperidine-2,6-dione;4-propan-2-yl-2,3-dihydroisoindol-1-one
SMILESCC(C)c1cccc2c1CNC2=O.O=C1CCCC(=O)N1
InChIInChI=1S/C11H13NO.C5H7NO2/c1-7(2)8-4-3-5-9-10(8)6-12-11(9)13;7-4-2-1-3-5(8)6-4/h3-5,7H,6H2,1-2H3,(H,12,13);1-3H2,(H,6,7,8)
InChIKeyOPJAETHISNCMOU-UHFFFAOYSA-N
MW288.35 g/mol
LogP1.87
Rot. Bonds1

About piperidine-2,6-dione;4-propan-2-yl-2,3-dihydroisoindol-1-one

piperidine-2,6-dione;4-propan-2-yl-2,3-dihydroisoindol-1-one (PubChem CID 156794502) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is piperidine-2,6-dione;4-propan-2-yl-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Namepiperidine-2,6-dione;4-propan-2-yl-2,3-dihydroisoindol-1-one
PubChem CID156794502
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Namepiperidine-2,6-dione;4-propan-2-yl-2,3-dihydroisoindol-1-one
SMILESCC(C)c1cccc2c1CNC2=O.O=C1CCCC(=O)N1
InChIInChI=1S/C11H13NO.C5H7NO2/c1-7(2)8-4-3-5-9-10(8)6-12-11(9)13;7-4-2-1-3-5(8)6-4/h3-5,7H,6H2,1-2H3,(H,12,13);1-3H2,(H,6,7,8)
InChIKeyOPJAETHISNCMOU-UHFFFAOYSA-N
XLogP1.87
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of piperidine-2,6-dione;4-propan-2-yl-2,3-dihydroisoindol-1-one?
The IUPAC name of piperidine-2,6-dione;4-propan-2-yl-2,3-dihydroisoindol-1-one (CID 156794502) is piperidine-2,6-dione;4-propan-2-yl-2,3-dihydroisoindol-1-one.
What is the SMILES notation for piperidine-2,6-dione;4-propan-2-yl-2,3-dihydroisoindol-1-one?
The canonical SMILES for piperidine-2,6-dione;4-propan-2-yl-2,3-dihydroisoindol-1-one is CC(C)c1cccc2c1CNC2=O.O=C1CCCC(=O)N1.
What is the InChIKey of piperidine-2,6-dione;4-propan-2-yl-2,3-dihydroisoindol-1-one?
The InChIKey is OPJAETHISNCMOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO.C5H7NO2/c1-7(2)8-4-3-5-9-10(8)6-12-11(9)13;7-4-2-1-3-5(8)6-4/h3-5,7H,6H2,1-2H3,(H,12,13);1-3H2,(H,6,7,8).
What are the key properties of piperidine-2,6-dione;4-propan-2-yl-2,3-dihydroisoindol-1-one?
piperidine-2,6-dione;4-propan-2-yl-2,3-dihydroisoindol-1-one has a molecular weight of 288.35 g/mol, XLogP of 1.87, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for piperidine-2,6-dione;4-propan-2-yl-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 156794502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).