5-phenyl-2-(pyridine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

C18H17N3O2 — CID 131659549

About 5-phenyl-2-(pyridine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

5-phenyl-2-(pyridine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (PubChem CID 131659549) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is 5-phenyl-2-(pyridine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.

Molecular Properties

• Compound Name: 5-phenyl-2-(pyridine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
• PubChem CID: 131659549
• Molecular Formula: C18H17N3O2
• Molecular Weight: 307.35 g/mol
• Exact Mass: 307.13
• IUPAC Name: 5-phenyl-2-(pyridine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one
• SMILES: O=C(c1ccccn1)N1CC2CN(c3ccccc3)C(=O)C2C1
• InChI: InChI=1S/C18H17N3O2/c22-17-15-12-20(18(23)16-8-4-5-9-19-16)10-13(15)11-21(17)14-6-2-1-3-7-14/h1-9,13,15H,10-12H2
• InChIKey: FOTIPPGFGQEGPB-UHFFFAOYSA-N
• XLogP: 1.82
• TPSA: 53.51 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	307.35
LogP ≤ 5	1.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-(pyridine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?

The IUPAC name of 5-phenyl-2-(pyridine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one (CID 131659549) is 5-phenyl-2-(pyridine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one.

What is the SMILES notation for 5-phenyl-2-(pyridine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?

The canonical SMILES for 5-phenyl-2-(pyridine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is O=C(c1ccccn1)N1CC2CN(c3ccccc3)C(=O)C2C1.

What is the InChIKey of 5-phenyl-2-(pyridine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?

The InChIKey is FOTIPPGFGQEGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c22-17-15-12-20(18(23)16-8-4-5-9-19-16)10-13(15)11-21(17)14-6-2-1-3-7-14/h1-9,13,15H,10-12H2.

What are the key properties of 5-phenyl-2-(pyridine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one?

5-phenyl-2-(pyridine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one has a molecular weight of 307.35 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 5-phenyl-2-(pyridine-2-carbonyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one is sourced from PubChem (CID 131659549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).