6-Benzyl-5,7-dioxo-octahydropyrrolo[3,4-b]pyridine

• Catalog Number: ACMA00001119
• Category: Amines
• Molecular Weight: 244.29
• Molecular Formula: C₁₄H₁₆ClNO
• Hazard Statements: H314
• RIDADR: UN 2811 6.1 / PGIII
• Symbol: GHS05

Custom Q&A

What is the molecular formula of the compound?

The molecular formula is C14H16N2O2.

What is the molecular weight of the compound?

The molecular weight is 244.29 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 6-benzyl-1,2,3,4,4a,7a-hexahydropyrrolo[3,4-b]pyridine-5,7-dione.

What is the InChI of the compound?

The InChI is InChI=1S/C14H16N2O2/c17-13-11-7-4-8-15-12(11)14(18)16(13)9-10-5-2-1-3-6-10/h1-3,5-6,11-12,15H,4,7-9H2.

What is the InChIKey of the compound?

The InChIKey is RRBLNPCNHNHAFW-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is C1CC2C(C(=O)N(C2=O)CC3=CC=CC=C3)NC1.

What is the CAS number of the compound?

The CAS number is 128740-13-6.

What is the European Community (EC) Number of the compound?

The European Community (EC) Number is 603-298-6.

What is the ChEMBL ID of the compound?

The ChEMBL ID is CHEMBL5027883.

Is the compound canonicalized?

Yes, the compound is canonicalized.