(1S)-6-methyl-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H23NO3 — CID 40871849

About (1S)-6-methyl-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1S)-6-methyl-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 40871849) has the molecular formula C27H23NO3 and a molecular weight of 409.49 g/mol. Its IUPAC name is (1S)-6-methyl-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: (1S)-6-methyl-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 40871849
• Molecular Formula: C27H23NO3
• Molecular Weight: 409.49 g/mol
• Exact Mass: 409.17
• IUPAC Name: (1S)-6-methyl-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc([C@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2CCc2ccccc2)cc1
• InChI: InChI=1S/C27H23NO3/c1-17-8-11-20(12-9-17)24-23-25(29)21-13-10-18(2)16-22(21)31-26(23)27(30)28(24)15-14-19-6-4-3-5-7-19/h3-13,16,24H,14-15H2,1-2H3/t24-/m0/s1
• InChIKey: ALGYCLKBIZKRQA-DEOSSOPVSA-N
• XLogP: 5.20
• TPSA: 50.52 Ų
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	409.49
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (1S)-6-methyl-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of (1S)-6-methyl-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 40871849) is (1S)-6-methyl-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for (1S)-6-methyl-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for (1S)-6-methyl-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc([C@H]2c3c(oc4cc(C)ccc4c3=O)C(=O)N2CCc2ccccc2)cc1.

What is the InChIKey of (1S)-6-methyl-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is ALGYCLKBIZKRQA-DEOSSOPVSA-N. The full InChI is InChI=1S/C27H23NO3/c1-17-8-11-20(12-9-17)24-23-25(29)21-13-10-18(2)16-22(21)31-26(23)27(30)28(24)15-14-19-6-4-3-5-7-19/h3-13,16,24H,14-15H2,1-2H3/t24-/m0/s1.

What are the key properties of (1S)-6-methyl-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

(1S)-6-methyl-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 409.49 g/mol, XLogP of 5.20, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (1S)-6-methyl-1-(4-methylphenyl)-2-(2-phenylethyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 40871849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).