2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione

C13H12N2O3 — CID 1494048

IUPAC2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione
SMILESO=C1NCCC[C@H]1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H12N2O3/c16-11-10(6-3-7-14-11)15-12(17)8-4-1-2-5-9(8)13(15)18/h1-2,4-5,10H,3,6-7H2,(H,14,16)/t10-/m1/s1
InChIKeyZLYHJKFZUWNUEQ-SNVBAGLBSA-N
MW244.25 g/mol
LogP0.56
Rot. Bonds1

About 2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione

2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione (PubChem CID 1494048) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione
PubChem CID1494048
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione
SMILESO=C1NCCC[C@H]1N1C(=O)c2ccccc2C1=O
InChIInChI=1S/C13H12N2O3/c16-11-10(6-3-7-14-11)15-12(17)8-4-1-2-5-9(8)13(15)18/h1-2,4-5,10H,3,6-7H2,(H,14,16)/t10-/m1/s1
InChIKeyZLYHJKFZUWNUEQ-SNVBAGLBSA-N
XLogP0.56
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione with MolForge

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Related Compounds

molecular hydrogen;2-(2-oxoazepan-3-yl)isoindole-1,3-dione
CID 153385124
2-(2,6-dioxo(115N)azinan-3-yl)isoindole-1,3-dione
CID 46898665
2-(2,6-dioxo(513C)azinan-3-yl)isoindole-1,3-dione
CID 46898587
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 161120100
2-(6-hydroxy-2,5-dioxopiperidin-3-yl)isoindole-1,3-dione
CID 91591952
4-(8-bromooctoxy)-2-(2-oxopiperidin-3-yl)isoindole-1,3-dione
CID 168911866
3-amino-2-[[1,3-dioxo-2-(2-oxopiperidin-3-yl)isoindol-4-yl]amino]propanal
CID 155445767
3-(2-sulfanylidenebenzo[cd]indol-1-yl)piperidin-2-one
CID 170669017
2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione;ethane
CID 91469620
2-[2-(1,3-dioxoisoindol-2-yl)cyclohexyl]isoindole-1,3-dione
CID 2911337
tert-butyl 10-(1,3-dioxoisoindol-2-yl)-7,11-dioxo-1,6-diazacycloundecane-2-carboxylate
CID 123371593
2-(2-methylidenecyclohexyl)isoindole-1,3-dione
CID 86708961

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione?
The IUPAC name of 2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione (CID 1494048) is 2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione.
What is the SMILES notation for 2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione?
The canonical SMILES for 2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione is O=C1NCCC[C@H]1N1C(=O)c2ccccc2C1=O.
What is the InChIKey of 2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione?
The InChIKey is ZLYHJKFZUWNUEQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-11-10(6-3-7-14-11)15-12(17)8-4-1-2-5-9(8)13(15)18/h1-2,4-5,10H,3,6-7H2,(H,14,16)/t10-/m1/s1.
What are the key properties of 2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione?
2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione has a molecular weight of 244.25 g/mol, XLogP of 0.56, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-2-oxopiperidin-3-yl]isoindole-1,3-dione is sourced from PubChem (CID 1494048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).