N-hydroxy-2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxamide;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate;methyl 2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate

C58H56F6N4O9 — CID 159849424

About N-hydroxy-2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxamide;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate;methyl 2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate

N-hydroxy-2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxamide;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate;methyl 2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate (PubChem CID 159849424) has the molecular formula C58H56F6N4O9 and a molecular weight of 1067.09 g/mol. Its IUPAC name is N-hydroxy-2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxamide;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate;methyl 2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate.

Molecular Properties

• Compound Name: N-hydroxy-2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxamide;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate;methyl 2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate
• PubChem CID: 159849424
• Molecular Formula: C58H56F6N4O9
• Molecular Weight: 1067.09 g/mol
• Exact Mass: 1066.40
• IUPAC Name: N-hydroxy-2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxamide;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate;methyl 2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate
• SMILES: COC(=O)c1cccc2c1CC1(CC2)CCN(c2ccccc2C(F)(F)F)C1=O.COC(=O)c1cccc2c1CC1(CCNC1=O)CC2.O=C(NO)c1cccc2c1CC1(CC2)CCN(c2ccccc2C(F)(F)F)C1=O
• InChI: InChI=1S/C22H20F3NO3.C21H19F3N2O3.C15H17NO3/c1-29-19(27)15-6-4-5-14-9-10-21(13-16(14)15)11-12-26(20(21)28)18-8-3-2-7-17(18)22(23,24)25;22-21(23,24)16-6-1-2-7-17(16)26-11-10-20(19(26)28)9-8-13-4-3-5-14(15(13)12-20)18(27)25-29;1-19-13(17)11-4-2-3-10-5-6-15(9-12(10)11)7-8-16-14(15)18/h2-8H,9-13H2,1H3;1-7,29H,8-12H2,(H,25,27);2-4H,5-9H2,1H3,(H,16,18)
• InChIKey: NPSUSHLSXUFWHS-UHFFFAOYSA-N
• XLogP: 9.61
• TPSA: 171.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1067.09
LogP ≤ 5	9.61
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 N-hydroxy-2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxamide;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate;methyl 2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate?

The IUPAC name of N-hydroxy-2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxamide;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate;methyl 2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate (CID 159849424) is N-hydroxy-2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxamide;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate;methyl 2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate.

What is the SMILES notation for N-hydroxy-2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxamide;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate;methyl 2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate?

The canonical SMILES for N-hydroxy-2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxamide;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate;methyl 2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate is COC(=O)c1cccc2c1CC1(CC2)CCN(c2ccccc2C(F)(F)F)C1=O.COC(=O)c1cccc2c1CC1(CCNC1=O)CC2.O=C(NO)c1cccc2c1CC1(CC2)CCN(c2ccccc2C(F)(F)F)C1=O.

What is the InChIKey of N-hydroxy-2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxamide;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate;methyl 2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate?

The InChIKey is NPSUSHLSXUFWHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3NO3.C21H19F3N2O3.C15H17NO3/c1-29-19(27)15-6-4-5-14-9-10-21(13-16(14)15)11-12-26(20(21)28)18-8-3-2-7-17(18)22(23,24)25;22-21(23,24)16-6-1-2-7-17(16)26-11-10-20(19(26)28)9-8-13-4-3-5-14(15(13)12-20)18(27)25-29;1-19-13(17)11-4-2-3-10-5-6-15(9-12(10)11)7-8-16-14(15)18/h2-8H,9-13H2,1H3;1-7,29H,8-12H2,(H,25,27);2-4H,5-9H2,1H3,(H,16,18).

What are the key properties of N-hydroxy-2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxamide;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate;methyl 2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate?

N-hydroxy-2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxamide;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate;methyl 2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate has a molecular weight of 1067.09 g/mol, XLogP of 9.61, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxamide;methyl 2'-oxospiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate;methyl 2'-oxo-1'-[2-(trifluoromethyl)phenyl]spiro[6,8-dihydro-5H-naphthalene-7,3'-pyrrolidine]-1-carboxylate is sourced from PubChem (CID 159849424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).