1-(1,3-dihydroisoindol-2-yl)piperidine-2,3,6-trione

C13H12N2O3 — CID 141145979

IUPAC1-(1,3-dihydroisoindol-2-yl)piperidine-2,3,6-trione
SMILESO=C1CCC(=O)N(N2Cc3ccccc3C2)C1=O
InChIInChI=1S/C13H12N2O3/c16-11-5-6-12(17)15(13(11)18)14-7-9-3-1-2-4-10(9)8-14/h1-4H,5-8H2
InChIKeyRNWFJACQHNKYEP-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.64
Rot. Bonds1

About 1-(1,3-dihydroisoindol-2-yl)piperidine-2,3,6-trione

1-(1,3-dihydroisoindol-2-yl)piperidine-2,3,6-trione (PubChem CID 141145979) has the molecular formula C13H12N2O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)piperidine-2,3,6-trione.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)piperidine-2,3,6-trione
PubChem CID141145979
Molecular FormulaC13H12N2O3
Molecular Weight244.25 g/mol
Exact Mass244.08
IUPAC Name1-(1,3-dihydroisoindol-2-yl)piperidine-2,3,6-trione
SMILESO=C1CCC(=O)N(N2Cc3ccccc3C2)C1=O
InChIInChI=1S/C13H12N2O3/c16-11-5-6-12(17)15(13(11)18)14-7-9-3-1-2-4-10(9)8-14/h1-4H,5-8H2
InChIKeyRNWFJACQHNKYEP-UHFFFAOYSA-N
XLogP0.64
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dihydroisoindol-2-yl)piperidine-2,3,6-trione?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)piperidine-2,3,6-trione (CID 141145979) is 1-(1,3-dihydroisoindol-2-yl)piperidine-2,3,6-trione.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)piperidine-2,3,6-trione?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)piperidine-2,3,6-trione is O=C1CCC(=O)N(N2Cc3ccccc3C2)C1=O.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)piperidine-2,3,6-trione?
The InChIKey is RNWFJACQHNKYEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2O3/c16-11-5-6-12(17)15(13(11)18)14-7-9-3-1-2-4-10(9)8-14/h1-4H,5-8H2.
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)piperidine-2,3,6-trione?
1-(1,3-dihydroisoindol-2-yl)piperidine-2,3,6-trione has a molecular weight of 244.25 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)piperidine-2,3,6-trione is sourced from PubChem (CID 141145979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).