7-methyl-2-(3-propan-2-yloxypropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C27H31NO4 — CID 3422074

About 7-methyl-2-(3-propan-2-yloxypropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

7-methyl-2-(3-propan-2-yloxypropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 3422074) has the molecular formula C27H31NO4 and a molecular weight of 433.55 g/mol. Its IUPAC name is 7-methyl-2-(3-propan-2-yloxypropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-methyl-2-(3-propan-2-yloxypropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 3422074
• Molecular Formula: C27H31NO4
• Molecular Weight: 433.55 g/mol
• Exact Mass: 433.23
• IUPAC Name: 7-methyl-2-(3-propan-2-yloxypropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(C(C)C)cc1)N(CCCOC(C)C)C3=O
• InChI: InChI=1S/C27H31NO4/c1-16(2)19-8-10-20(11-9-19)24-23-25(29)21-15-18(5)7-12-22(21)32-26(23)27(30)28(24)13-6-14-31-17(3)4/h7-12,15-17,24H,6,13-14H2,1-5H3
• InChIKey: FXZBFPYMYOAOPL-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	433.55
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-(3-propan-2-yloxypropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-methyl-2-(3-propan-2-yloxypropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 3422074) is 7-methyl-2-(3-propan-2-yloxypropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 7-methyl-2-(3-propan-2-yloxypropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 7-methyl-2-(3-propan-2-yloxypropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is Cc1ccc2oc3c(c(=O)c2c1)C(c1ccc(C(C)C)cc1)N(CCCOC(C)C)C3=O.

What is the InChIKey of 7-methyl-2-(3-propan-2-yloxypropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is FXZBFPYMYOAOPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H31NO4/c1-16(2)19-8-10-20(11-9-19)24-23-25(29)21-15-18(5)7-12-22(21)32-26(23)27(30)28(24)13-6-14-31-17(3)4/h7-12,15-17,24H,6,13-14H2,1-5H3.

What are the key properties of 7-methyl-2-(3-propan-2-yloxypropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

7-methyl-2-(3-propan-2-yloxypropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 433.55 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-methyl-2-(3-propan-2-yloxypropyl)-1-(4-propan-2-ylphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 3422074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).