(1R)-1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

C24H26N2O5 — CID 7177341

About (1R)-1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione

(1R)-1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 7177341) has the molecular formula C24H26N2O5 and a molecular weight of 422.48 g/mol. Its IUPAC name is (1R)-1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: (1R)-1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 7177341
• Molecular Formula: C24H26N2O5
• Molecular Weight: 422.48 g/mol
• Exact Mass: 422.18
• IUPAC Name: (1R)-1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: COc1ccc(OC)c([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1
• InChI: InChI=1S/C24H26N2O5/c1-25(2)12-7-13-26-21(17-14-15(29-3)10-11-18(17)30-4)20-22(27)16-8-5-6-9-19(16)31-23(20)24(26)28/h5-6,8-11,14,21H,7,12-13H2,1-4H3/t21-/m1/s1
• InChIKey: MSEGSKYCXNBBCW-OAQYLSRUSA-N
• XLogP: 3.31
• TPSA: 72.22 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.48
LogP ≤ 5	3.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of (1R)-1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 7177341) is (1R)-1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for (1R)-1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for (1R)-1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is COc1ccc(OC)c([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2CCCN(C)C)c1.

What is the InChIKey of (1R)-1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is MSEGSKYCXNBBCW-OAQYLSRUSA-N. The full InChI is InChI=1S/C24H26N2O5/c1-25(2)12-7-13-26-21(17-14-15(29-3)10-11-18(17)30-4)20-22(27)16-8-5-6-9-19(16)31-23(20)24(26)28/h5-6,8-11,14,21H,7,12-13H2,1-4H3/t21-/m1/s1.

What are the key properties of (1R)-1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione?

(1R)-1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 422.48 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (1R)-1-(2,5-dimethoxyphenyl)-2-[3-(dimethylamino)propyl]-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 7177341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).