(1R)-2-(2-phenylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C28H25NO3 — CID 2002519

About (1R)-2-(2-phenylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-2-(2-phenylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 2002519) has the molecular formula C28H25NO3 and a molecular weight of 423.51 g/mol. Its IUPAC name is (1R)-2-(2-phenylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: (1R)-2-(2-phenylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 2002519
• Molecular Formula: C28H25NO3
• Molecular Weight: 423.51 g/mol
• Exact Mass: 423.18
• IUPAC Name: (1R)-2-(2-phenylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1
• InChI: InChI=1S/C28H25NO3/c1-18(2)20-12-14-21(15-13-20)25-24-26(30)22-10-6-7-11-23(22)32-27(24)28(31)29(25)17-16-19-8-4-3-5-9-19/h3-15,18,25H,16-17H2,1-2H3/t25-/m1/s1
• InChIKey: ABVNHGXMWFCWCN-RUZDIDTESA-N
• XLogP: 5.70
• TPSA: 50.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	423.51
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1R)-2-(2-phenylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of (1R)-2-(2-phenylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 2002519) is (1R)-2-(2-phenylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for (1R)-2-(2-phenylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for (1R)-2-(2-phenylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is CC(C)c1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCc2ccccc2)cc1.

What is the InChIKey of (1R)-2-(2-phenylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is ABVNHGXMWFCWCN-RUZDIDTESA-N. The full InChI is InChI=1S/C28H25NO3/c1-18(2)20-12-14-21(15-13-20)25-24-26(30)22-10-6-7-11-23(22)32-27(24)28(31)29(25)17-16-19-8-4-3-5-9-19/h3-15,18,25H,16-17H2,1-2H3/t25-/m1/s1.

What are the key properties of (1R)-2-(2-phenylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

(1R)-2-(2-phenylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 423.51 g/mol, XLogP of 5.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-2-(2-phenylethyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 2002519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).