2-(3,4-dimethylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

C30H27NO4 — CID 18856954

About 2-(3,4-dimethylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione

2-(3,4-dimethylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856954) has the molecular formula C30H27NO4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-(3,4-dimethylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18856954
• Molecular Formula: C30H27NO4
• Molecular Weight: 465.55 g/mol
• Exact Mass: 465.19
• IUPAC Name: 2-(3,4-dimethylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: C=CCOc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)c1
• InChI: InChI=1S/C30H27NO4/c1-6-12-34-23-9-7-8-21(16-23)27-26-28(32)24-14-19(4)20(5)15-25(24)35-29(26)30(33)31(27)22-11-10-17(2)18(3)13-22/h6-11,13-16,27H,1,12H2,2-5H3
• InChIKey: XRRKQXDBTGCQAS-UHFFFAOYSA-N
• XLogP: 6.34
• TPSA: 59.75 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	465.55
LogP ≤ 5	6.34
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-(3,4-dimethylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856954) is 2-(3,4-dimethylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

What is the SMILES notation for 2-(3,4-dimethylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 2-(3,4-dimethylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1cccc(C2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)c1.

What is the InChIKey of 2-(3,4-dimethylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The InChIKey is XRRKQXDBTGCQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO4/c1-6-12-34-23-9-7-8-21(16-23)27-26-28(32)24-14-19(4)20(5)15-25(24)35-29(26)30(33)31(27)22-11-10-17(2)18(3)13-22/h6-11,13-16,27H,1,12H2,2-5H3.

What are the key properties of 2-(3,4-dimethylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

2-(3,4-dimethylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 465.55 g/mol, XLogP of 6.34, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(3,4-dimethylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).