6,7-dimethyl-1'-[(3-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C31H26N2O4 — CID 18869929

About 6,7-dimethyl-1'-[(3-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

6,7-dimethyl-1'-[(3-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18869929) has the molecular formula C31H26N2O4 and a molecular weight of 490.56 g/mol. Its IUPAC name is 6,7-dimethyl-1'-[(3-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

• Compound Name: 6,7-dimethyl-1'-[(3-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• PubChem CID: 18869929
• Molecular Formula: C31H26N2O4
• Molecular Weight: 490.56 g/mol
• Exact Mass: 490.19
• IUPAC Name: 6,7-dimethyl-1'-[(3-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• SMILES: C=CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C12C(=O)N(Cc1cccc(C)c1)c1ccccc12
• InChI: InChI=1S/C31H26N2O4/c1-5-13-33-29(35)28-26(27(34)22-15-19(3)20(4)16-25(22)37-28)31(33)23-11-6-7-12-24(23)32(30(31)36)17-21-10-8-9-18(2)14-21/h5-12,14-16H,1,13,17H2,2-4H3
• InChIKey: AGQNJOJQTNXSQX-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 70.83 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	490.56
LogP ≤ 5	5.15
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 6,7-dimethyl-1'-[(3-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The IUPAC name of 6,7-dimethyl-1'-[(3-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18869929) is 6,7-dimethyl-1'-[(3-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

What is the SMILES notation for 6,7-dimethyl-1'-[(3-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The canonical SMILES for 6,7-dimethyl-1'-[(3-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is C=CCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2C12C(=O)N(Cc1cccc(C)c1)c1ccccc12.

What is the InChIKey of 6,7-dimethyl-1'-[(3-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The InChIKey is AGQNJOJQTNXSQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O4/c1-5-13-33-29(35)28-26(27(34)22-15-19(3)20(4)16-25(22)37-28)31(33)23-11-6-7-12-24(23)32(30(31)36)17-21-10-8-9-18(2)14-21/h5-12,14-16H,1,13,17H2,2-4H3.

What are the key properties of 6,7-dimethyl-1'-[(3-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

6,7-dimethyl-1'-[(3-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 490.56 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethyl-1'-[(3-methylphenyl)methyl]-2-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18869929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).