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

C30H27NO5 — CID 18810927

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

2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18810927) has the molecular formula C30H27NO5 and a molecular weight of 481.55 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18810927
• Molecular Formula: C30H27NO5
• Molecular Weight: 481.55 g/mol
• Exact Mass: 481.19
• IUPAC Name: 2-[(4-methoxyphenyl)methyl]-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)N2Cc2ccc(OC)cc2)c1
• InChI: InChI=1S/C30H27NO5/c1-5-13-35-23-8-6-7-21(16-23)27-26-28(32)24-14-18(2)19(3)15-25(24)36-29(26)30(33)31(27)17-20-9-11-22(34-4)12-10-20/h5-12,14-16,27H,1,13,17H2,2-4H3
• InChIKey: JGNYORSCDZOSRS-UHFFFAOYSA-N
• XLogP: 5.73
• TPSA: 68.98 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.55
LogP ≤ 5	5.73
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-methoxyphenyl)methyl]-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18810927) is 2-[(4-methoxyphenyl)methyl]-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-methoxyphenyl)methyl]-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-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)N2Cc2ccc(OC)cc2)c1.

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

The InChIKey is JGNYORSCDZOSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27NO5/c1-5-13-35-23-8-6-7-21(16-23)27-26-28(32)24-14-18(2)19(3)15-25(24)36-29(26)30(33)31(27)17-20-9-11-22(34-4)12-10-20/h5-12,14-16,27H,1,13,17H2,2-4H3.

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

2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 481.55 g/mol, XLogP of 5.73, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(4-methoxyphenyl)methyl]-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18810927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).