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

C26H20ClNO5 — CID 18882476

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

7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (PubChem CID 18882476) has the molecular formula C26H20ClNO5 and a molecular weight of 461.90 g/mol. Its IUPAC name is 7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

Molecular Properties

• Compound Name: 7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• PubChem CID: 18882476
• Molecular Formula: C26H20ClNO5
• Molecular Weight: 461.90 g/mol
• Exact Mass: 461.10
• IUPAC Name: 7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
• SMILES: C=CCOc1cccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccco2)c1
• InChI: InChI=1S/C26H20ClNO5/c1-3-9-31-17-7-4-6-16(12-17)23-22-24(29)19-13-20(27)15(2)11-21(19)33-25(22)26(30)28(23)14-18-8-5-10-32-18/h3-8,10-13,23H,1,9,14H2,2H3
• InChIKey: RVFNYTGPWSJKEI-UHFFFAOYSA-N
• XLogP: 5.66
• 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	461.90
LogP ≤ 5	5.66
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 7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione?

The IUPAC name of 7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione (CID 18882476) is 7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione.

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

The canonical SMILES for 7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is C=CCOc1cccc(C2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccco2)c1.

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

The InChIKey is RVFNYTGPWSJKEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20ClNO5/c1-3-9-31-17-7-4-6-16(12-17)23-22-24(29)19-13-20(27)15(2)11-21(19)33-25(22)26(30)28(23)14-18-8-5-10-32-18/h3-8,10-13,23H,1,9,14H2,2H3.

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

7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione has a molecular weight of 461.90 g/mol, XLogP of 5.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-(furan-2-ylmethyl)-6-methyl-1-(3-prop-2-enoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione is sourced from PubChem (CID 18882476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).