6,7-dimethyl-2-[(4-methylphenyl)methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

C31H28N2O4 — CID 18869581

About 6,7-dimethyl-2-[(4-methylphenyl)methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione

6,7-dimethyl-2-[(4-methylphenyl)methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 18869581) has the molecular formula C31H28N2O4 and a molecular weight of 492.58 g/mol. Its IUPAC name is 6,7-dimethyl-2-[(4-methylphenyl)methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

• Compound Name: 6,7-dimethyl-2-[(4-methylphenyl)methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• PubChem CID: 18869581
• Molecular Formula: C31H28N2O4
• Molecular Weight: 492.58 g/mol
• Exact Mass: 492.20
• IUPAC Name: 6,7-dimethyl-2-[(4-methylphenyl)methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• SMILES: CCCN1C(=O)C2(c3ccccc31)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2Cc1ccc(C)cc1
• InChI: InChI=1S/C31H28N2O4/c1-5-14-32-24-9-7-6-8-23(24)31(30(32)36)26-27(34)22-15-19(3)20(4)16-25(22)37-28(26)29(35)33(31)17-21-12-10-18(2)11-13-21/h6-13,15-16H,5,14,17H2,1-4H3
• InChIKey: NRCZCBOUQVYWBR-UHFFFAOYSA-N
• XLogP: 5.37
• 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	492.58
LogP ≤ 5	5.37
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-[(4-methylphenyl)methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The IUPAC name of 6,7-dimethyl-2-[(4-methylphenyl)methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 18869581) is 6,7-dimethyl-2-[(4-methylphenyl)methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

What is the SMILES notation for 6,7-dimethyl-2-[(4-methylphenyl)methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The canonical SMILES for 6,7-dimethyl-2-[(4-methylphenyl)methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is CCCN1C(=O)C2(c3ccccc31)c1c(oc3cc(C)c(C)cc3c1=O)C(=O)N2Cc1ccc(C)cc1.

What is the InChIKey of 6,7-dimethyl-2-[(4-methylphenyl)methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The InChIKey is NRCZCBOUQVYWBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28N2O4/c1-5-14-32-24-9-7-6-8-23(24)31(30(32)36)26-27(34)22-15-19(3)20(4)16-25(22)37-28(26)29(35)33(31)17-21-12-10-18(2)11-13-21/h6-13,15-16H,5,14,17H2,1-4H3.

What are the key properties of 6,7-dimethyl-2-[(4-methylphenyl)methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

6,7-dimethyl-2-[(4-methylphenyl)methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 492.58 g/mol, XLogP of 5.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6,7-dimethyl-2-[(4-methylphenyl)methyl]-1'-propylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 18869581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).