tert-butyl (3R,4'R)-4'-ethenyl-2-oxo-2',4'-diphenylspiro[indole-3,3'-oxolane]-1-carboxylate

C30H29NO4 — CID 166449197

About tert-butyl (3R,4'R)-4'-ethenyl-2-oxo-2',4'-diphenylspiro[indole-3,3'-oxolane]-1-carboxylate

tert-butyl (3R,4'R)-4'-ethenyl-2-oxo-2',4'-diphenylspiro[indole-3,3'-oxolane]-1-carboxylate (PubChem CID 166449197) has the molecular formula C30H29NO4 and a molecular weight of 467.57 g/mol. Its IUPAC name is tert-butyl (3R,4'R)-4'-ethenyl-2-oxo-2',4'-diphenylspiro[indole-3,3'-oxolane]-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl (3R,4'R)-4'-ethenyl-2-oxo-2',4'-diphenylspiro[indole-3,3'-oxolane]-1-carboxylate
• PubChem CID: 166449197
• Molecular Formula: C30H29NO4
• Molecular Weight: 467.57 g/mol
• Exact Mass: 467.21
• IUPAC Name: tert-butyl (3R,4'R)-4'-ethenyl-2-oxo-2',4'-diphenylspiro[indole-3,3'-oxolane]-1-carboxylate
• SMILES: C=C[C@]1(c2ccccc2)COC(c2ccccc2)[C@]12C(=O)N(C(=O)OC(C)(C)C)c1ccccc12
• InChI: InChI=1S/C30H29NO4/c1-5-29(22-16-10-7-11-17-22)20-34-25(21-14-8-6-9-15-21)30(29)23-18-12-13-19-24(23)31(26(30)32)27(33)35-28(2,3)4/h5-19,25H,1,20H2,2-4H3/t25?,29-,30-/m1/s1
• InChIKey: ZKNPVDFUNSXNQX-MJTJDVJOSA-N
• XLogP: 6.10
• TPSA: 55.84 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	467.57
LogP ≤ 5	6.10
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 tert-butyl (3R,4'R)-4'-ethenyl-2-oxo-2',4'-diphenylspiro[indole-3,3'-oxolane]-1-carboxylate?

The IUPAC name of tert-butyl (3R,4'R)-4'-ethenyl-2-oxo-2',4'-diphenylspiro[indole-3,3'-oxolane]-1-carboxylate (CID 166449197) is tert-butyl (3R,4'R)-4'-ethenyl-2-oxo-2',4'-diphenylspiro[indole-3,3'-oxolane]-1-carboxylate.

What is the SMILES notation for tert-butyl (3R,4'R)-4'-ethenyl-2-oxo-2',4'-diphenylspiro[indole-3,3'-oxolane]-1-carboxylate?

The canonical SMILES for tert-butyl (3R,4'R)-4'-ethenyl-2-oxo-2',4'-diphenylspiro[indole-3,3'-oxolane]-1-carboxylate is C=C[C@]1(c2ccccc2)COC(c2ccccc2)[C@]12C(=O)N(C(=O)OC(C)(C)C)c1ccccc12.

What is the InChIKey of tert-butyl (3R,4'R)-4'-ethenyl-2-oxo-2',4'-diphenylspiro[indole-3,3'-oxolane]-1-carboxylate?

The InChIKey is ZKNPVDFUNSXNQX-MJTJDVJOSA-N. The full InChI is InChI=1S/C30H29NO4/c1-5-29(22-16-10-7-11-17-22)20-34-25(21-14-8-6-9-15-21)30(29)23-18-12-13-19-24(23)31(26(30)32)27(33)35-28(2,3)4/h5-19,25H,1,20H2,2-4H3/t25?,29-,30-/m1/s1.

What are the key properties of tert-butyl (3R,4'R)-4'-ethenyl-2-oxo-2',4'-diphenylspiro[indole-3,3'-oxolane]-1-carboxylate?

tert-butyl (3R,4'R)-4'-ethenyl-2-oxo-2',4'-diphenylspiro[indole-3,3'-oxolane]-1-carboxylate has a molecular weight of 467.57 g/mol, XLogP of 6.10, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl (3R,4'R)-4'-ethenyl-2-oxo-2',4'-diphenylspiro[indole-3,3'-oxolane]-1-carboxylate is sourced from PubChem (CID 166449197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).