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

C28H18Cl2N2O4 — CID 3840458

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

7-chloro-2-[(2-chlorophenyl)methyl]-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (PubChem CID 3840458) has the molecular formula C28H18Cl2N2O4 and a molecular weight of 517.37 g/mol. Its IUPAC name is 7-chloro-2-[(2-chlorophenyl)methyl]-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

Molecular Properties

• Compound Name: 7-chloro-2-[(2-chlorophenyl)methyl]-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• PubChem CID: 3840458
• Molecular Formula: C28H18Cl2N2O4
• Molecular Weight: 517.37 g/mol
• Exact Mass: 516.06
• IUPAC Name: 7-chloro-2-[(2-chlorophenyl)methyl]-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione
• SMILES: C=CCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2Cc1ccccc1Cl
• InChI: InChI=1S/C28H18Cl2N2O4/c1-2-13-31-21-10-6-4-8-19(21)28(27(31)35)23-24(33)18-14-17(29)11-12-22(18)36-25(23)26(34)32(28)15-16-7-3-5-9-20(16)30/h2-12,14H,1,13,15H2
• InChIKey: VPLZASOIQLMOJR-UHFFFAOYSA-N
• XLogP: 5.53
• TPSA: 70.83 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	517.37
LogP ≤ 5	5.53
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 7-chloro-2-[(2-chlorophenyl)methyl]-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione?

The IUPAC name of 7-chloro-2-[(2-chlorophenyl)methyl]-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione (CID 3840458) is 7-chloro-2-[(2-chlorophenyl)methyl]-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione.

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

The canonical SMILES for 7-chloro-2-[(2-chlorophenyl)methyl]-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is C=CCN1C(=O)C2(c3ccccc31)c1c(oc3ccc(Cl)cc3c1=O)C(=O)N2Cc1ccccc1Cl.

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

The InChIKey is VPLZASOIQLMOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H18Cl2N2O4/c1-2-13-31-21-10-6-4-8-19(21)28(27(31)35)23-24(33)18-14-17(29)11-12-22(18)36-25(23)26(34)32(28)15-16-7-3-5-9-20(16)30/h2-12,14H,1,13,15H2.

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

7-chloro-2-[(2-chlorophenyl)methyl]-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione has a molecular weight of 517.37 g/mol, XLogP of 5.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 7-chloro-2-[(2-chlorophenyl)methyl]-1'-prop-2-enylspiro[chromeno[2,3-c]pyrrole-1,3'-indole]-2',3,9-trione is sourced from PubChem (CID 3840458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).