3-(7-methyl-3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione

C14H16N2O3 — CID 141245425

IUPAC3-(7-methyl-3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC1C=CC=C2C(=O)N(C3CCC(=O)NC3=O)CC21
InChIInChI=1S/C14H16N2O3/c1-8-3-2-4-9-10(8)7-16(14(9)19)11-5-6-12(17)15-13(11)18/h2-4,8,10-11H,5-7H2,1H3,(H,15,17,18)
InChIKeyTVAXTLAFRVGRAB-UHFFFAOYSA-N
MW260.29 g/mol
LogP0.38
Rot. Bonds1

About 3-(7-methyl-3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione

3-(7-methyl-3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione (PubChem CID 141245425) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 3-(7-methyl-3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(7-methyl-3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
PubChem CID141245425
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name3-(7-methyl-3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
SMILESCC1C=CC=C2C(=O)N(C3CCC(=O)NC3=O)CC21
InChIInChI=1S/C14H16N2O3/c1-8-3-2-4-9-10(8)7-16(14(9)19)11-5-6-12(17)15-13(11)18/h2-4,8,10-11H,5-7H2,1H3,(H,15,17,18)
InChIKeyTVAXTLAFRVGRAB-UHFFFAOYSA-N
XLogP0.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 50.38
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-(7-methyl-3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione?
The IUPAC name of 3-(7-methyl-3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione (CID 141245425) is 3-(7-methyl-3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(7-methyl-3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(7-methyl-3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione is CC1C=CC=C2C(=O)N(C3CCC(=O)NC3=O)CC21.
What is the InChIKey of 3-(7-methyl-3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione?
The InChIKey is TVAXTLAFRVGRAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8-3-2-4-9-10(8)7-16(14(9)19)11-5-6-12(17)15-13(11)18/h2-4,8,10-11H,5-7H2,1H3,(H,15,17,18).
What are the key properties of 3-(7-methyl-3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione?
3-(7-methyl-3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione has a molecular weight of 260.29 g/mol, XLogP of 0.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione is sourced from PubChem (CID 141245425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).