(4Z)-4-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid

C22H19N3O2 — CID 8833197

About (4Z)-4-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid

(4Z)-4-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (PubChem CID 8833197) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is (4Z)-4-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid.

Molecular Properties

• Compound Name: (4Z)-4-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
• PubChem CID: 8833197
• Molecular Formula: C22H19N3O2
• Molecular Weight: 357.41 g/mol
• Exact Mass: 357.15
• IUPAC Name: (4Z)-4-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid
• SMILES: Cc1c(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O)cc(C#N)n1C
• InChI: InChI=1S/C22H19N3O2/c1-13-15(11-16(12-23)25(13)2)10-14-6-5-8-18-20(22(26)27)17-7-3-4-9-19(17)24-21(14)18/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,26,27)/b14-10-
• InChIKey: BZONEHYFSMZYIU-UVTDQMKNSA-N
• XLogP: 4.33
• TPSA: 78.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	357.41
LogP ≤ 5	4.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4Z)-4-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?

The IUPAC name of (4Z)-4-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid (CID 8833197) is (4Z)-4-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid.

What is the SMILES notation for (4Z)-4-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?

The canonical SMILES for (4Z)-4-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is Cc1c(/C=C2/CCCc3c2nc2ccccc2c3C(=O)O)cc(C#N)n1C.

What is the InChIKey of (4Z)-4-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?

The InChIKey is BZONEHYFSMZYIU-UVTDQMKNSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-13-15(11-16(12-23)25(13)2)10-14-6-5-8-18-20(22(26)27)17-7-3-4-9-19(17)24-21(14)18/h3-4,7,9-11H,5-6,8H2,1-2H3,(H,26,27)/b14-10-.

What are the key properties of (4Z)-4-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid?

(4Z)-4-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid has a molecular weight of 357.41 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4Z)-4-[(5-cyano-1,2-dimethylpyrrol-3-yl)methylidene]-2,3-dihydro-1H-acridine-9-carboxylic acid is sourced from PubChem (CID 8833197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).