3-[2-(7-methyl-3-oxo-1H-isoindol-2-yl)ethyl]piperidine-2,6-dione

C16H18N2O3 — CID 91182909

IUPAC3-[2-(7-methyl-3-oxo-1H-isoindol-2-yl)ethyl]piperidine-2,6-dione
SMILESCc1cccc2c1CN(CCC1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C16H18N2O3/c1-10-3-2-4-12-13(10)9-18(16(12)21)8-7-11-5-6-14(19)17-15(11)20/h2-4,11H,5-9H2,1H3,(H,17,19,20)
InChIKeyXCJCJOLRXJOYLL-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.39
Rot. Bonds3

About 3-[2-(7-methyl-3-oxo-1H-isoindol-2-yl)ethyl]piperidine-2,6-dione

3-[2-(7-methyl-3-oxo-1H-isoindol-2-yl)ethyl]piperidine-2,6-dione (PubChem CID 91182909) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-[2-(7-methyl-3-oxo-1H-isoindol-2-yl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[2-(7-methyl-3-oxo-1H-isoindol-2-yl)ethyl]piperidine-2,6-dione
PubChem CID91182909
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC Name3-[2-(7-methyl-3-oxo-1H-isoindol-2-yl)ethyl]piperidine-2,6-dione
SMILESCc1cccc2c1CN(CCC1CCC(=O)NC1=O)C2=O
InChIInChI=1S/C16H18N2O3/c1-10-3-2-4-12-13(10)9-18(16(12)21)8-7-11-5-6-14(19)17-15(11)20/h2-4,11H,5-9H2,1H3,(H,17,19,20)
InChIKeyXCJCJOLRXJOYLL-UHFFFAOYSA-N
XLogP1.39
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.39
H-Bond Donors ≤ 51
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 3-[2-(7-methyl-3-oxo-1H-isoindol-2-yl)ethyl]piperidine-2,6-dione?
The IUPAC name of 3-[2-(7-methyl-3-oxo-1H-isoindol-2-yl)ethyl]piperidine-2,6-dione (CID 91182909) is 3-[2-(7-methyl-3-oxo-1H-isoindol-2-yl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 3-[2-(7-methyl-3-oxo-1H-isoindol-2-yl)ethyl]piperidine-2,6-dione?
The canonical SMILES for 3-[2-(7-methyl-3-oxo-1H-isoindol-2-yl)ethyl]piperidine-2,6-dione is Cc1cccc2c1CN(CCC1CCC(=O)NC1=O)C2=O.
What is the InChIKey of 3-[2-(7-methyl-3-oxo-1H-isoindol-2-yl)ethyl]piperidine-2,6-dione?
The InChIKey is XCJCJOLRXJOYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-10-3-2-4-12-13(10)9-18(16(12)21)8-7-11-5-6-14(19)17-15(11)20/h2-4,11H,5-9H2,1H3,(H,17,19,20).
What are the key properties of 3-[2-(7-methyl-3-oxo-1H-isoindol-2-yl)ethyl]piperidine-2,6-dione?
3-[2-(7-methyl-3-oxo-1H-isoindol-2-yl)ethyl]piperidine-2,6-dione has a molecular weight of 286.33 g/mol, XLogP of 1.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(7-methyl-3-oxo-1H-isoindol-2-yl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 91182909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).