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

C27H23NO5 — CID 18820472

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

2-(furan-2-ylmethyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18820472) has the molecular formula C27H23NO5 and a molecular weight of 441.48 g/mol. Its IUPAC name is 2-(furan-2-ylmethyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 2-(furan-2-ylmethyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18820472
• Molecular Formula: C27H23NO5
• Molecular Weight: 441.48 g/mol
• Exact Mass: 441.16
• IUPAC Name: 2-(furan-2-ylmethyl)-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)N2Cc2ccco2)c1
• InChI: InChI=1S/C27H23NO5/c1-4-10-31-19-8-5-7-18(14-19)24-23-25(29)21-12-16(2)17(3)13-22(21)33-26(23)27(30)28(24)15-20-9-6-11-32-20/h4-9,11-14,24H,1,10,15H2,2-3H3
• InChIKey: IPMNLXLUHUELCB-UHFFFAOYSA-N
• XLogP: 5.31
• TPSA: 72.89 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	441.48
LogP ≤ 5	5.31
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-(furan-2-ylmethyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 2-(furan-2-ylmethyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18820472) is 2-(furan-2-ylmethyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 2-(furan-2-ylmethyl)-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)N2Cc2ccco2)c1.

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

The InChIKey is IPMNLXLUHUELCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23NO5/c1-4-10-31-19-8-5-7-18(14-19)24-23-25(29)21-12-16(2)17(3)13-22(21)33-26(23)27(30)28(24)15-20-9-6-11-32-20/h4-9,11-14,24H,1,10,15H2,2-3H3.

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

2-(furan-2-ylmethyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 441.48 g/mol, XLogP of 5.31, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(furan-2-ylmethyl)-6,7-dimethyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18820472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).