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

C30H25NO5 — CID 18856964

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

2-(4-acetylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18856964) has the molecular formula C30H25NO5 and a molecular weight of 479.53 g/mol. Its IUPAC name is 2-(4-acetylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-(4-acetylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18856964
• Molecular Formula: C30H25NO5
• Molecular Weight: 479.53 g/mol
• Exact Mass: 479.17
• IUPAC Name: 2-(4-acetylphenyl)-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)=O)cc2)c1
• InChI: InChI=1S/C30H25NO5/c1-5-13-35-23-8-6-7-21(16-23)27-26-28(33)24-14-17(2)18(3)15-25(24)36-29(26)30(34)31(27)22-11-9-20(10-12-22)19(4)32/h5-12,14-16,27H,1,13H2,2-4H3
• InChIKey: CXVKJGJGOQWCSQ-UHFFFAOYSA-N
• XLogP: 5.93
• TPSA: 76.82 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	479.53
LogP ≤ 5	5.93
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 2-(4-acetylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18856964) is 2-(4-acetylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 2-(4-acetylphenyl)-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)=O)cc2)c1.

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

The InChIKey is CXVKJGJGOQWCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25NO5/c1-5-13-35-23-8-6-7-21(16-23)27-26-28(33)24-14-17(2)18(3)15-25(24)36-29(26)30(34)31(27)22-11-9-20(10-12-22)19(4)32/h5-12,14-16,27H,1,13H2,2-4H3.

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

2-(4-acetylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 479.53 g/mol, XLogP of 5.93, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-acetylphenyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18856964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).