1'-benzyl-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-benzyl-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate

C55H56N4O9 — CID 159543095

About 1'-benzyl-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-benzyl-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate

1'-benzyl-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-benzyl-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate (PubChem CID 159543095) has the molecular formula C55H56N4O9 and a molecular weight of 917.07 g/mol. Its IUPAC name is 1'-benzyl-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-benzyl-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate.

Molecular Properties

• Compound Name: 1'-benzyl-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-benzyl-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
• PubChem CID: 159543095
• Molecular Formula: C55H56N4O9
• Molecular Weight: 917.07 g/mol
• Exact Mass: 916.40
• IUPAC Name: 1'-benzyl-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-benzyl-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
• SMILES: COC(=O)c1cccc2c1CC1(CCN(Cc3ccccc3)C1=O)C2.COC(=O)c1cccc2c1CC1(CCNC1=O)C2.O=C(NO)c1cccc2c1CC1(CCN(Cc3ccccc3)C1=O)C2
• InChI: InChI=1S/C21H21NO3.C20H20N2O3.C14H15NO3/c1-25-19(23)17-9-5-8-16-12-21(13-18(16)17)10-11-22(20(21)24)14-15-6-3-2-4-7-15;23-18(21-25)16-8-4-7-15-11-20(12-17(15)16)9-10-22(19(20)24)13-14-5-2-1-3-6-14;1-18-12(16)10-4-2-3-9-7-14(8-11(9)10)5-6-15-13(14)17/h2-9H,10-14H2,1H3;1-8,25H,9-13H2,(H,21,23);2-4H,5-8H2,1H3,(H,15,17)
• InChIKey: MELQSALVPRCDKH-UHFFFAOYSA-N
• XLogP: 6.39
• TPSA: 171.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	917.07
LogP ≤ 5	6.39
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1'-benzyl-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-benzyl-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?

The IUPAC name of 1'-benzyl-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-benzyl-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate (CID 159543095) is 1'-benzyl-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-benzyl-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate.

What is the SMILES notation for 1'-benzyl-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-benzyl-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?

The canonical SMILES for 1'-benzyl-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-benzyl-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate is COC(=O)c1cccc2c1CC1(CCN(Cc3ccccc3)C1=O)C2.COC(=O)c1cccc2c1CC1(CCNC1=O)C2.O=C(NO)c1cccc2c1CC1(CCN(Cc3ccccc3)C1=O)C2.

What is the InChIKey of 1'-benzyl-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-benzyl-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?

The InChIKey is MELQSALVPRCDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3.C20H20N2O3.C14H15NO3/c1-25-19(23)17-9-5-8-16-12-21(13-18(16)17)10-11-22(20(21)24)14-15-6-3-2-4-7-15;23-18(21-25)16-8-4-7-15-11-20(12-17(15)16)9-10-22(19(20)24)13-14-5-2-1-3-6-14;1-18-12(16)10-4-2-3-9-7-14(8-11(9)10)5-6-15-13(14)17/h2-9H,10-14H2,1H3;1-8,25H,9-13H2,(H,21,23);2-4H,5-8H2,1H3,(H,15,17).

What are the key properties of 1'-benzyl-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-benzyl-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?

1'-benzyl-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-benzyl-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate has a molecular weight of 917.07 g/mol, XLogP of 6.39, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-benzyl-N-hydroxy-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 1'-benzyl-2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate is sourced from PubChem (CID 159543095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).