N-hydroxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-sulfanylidenespiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate

C85H90F6N6O11S — CID 167629186

About N-hydroxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-sulfanylidenespiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate

N-hydroxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-sulfanylidenespiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate (PubChem CID 167629186) has the molecular formula C85H90F6N6O11S and a molecular weight of 1517.74 g/mol. Its IUPAC name is N-hydroxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-sulfanylidenespiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate.

Molecular Properties

• Compound Name: N-hydroxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-sulfanylidenespiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
• PubChem CID: 167629186
• Molecular Formula: C85H90F6N6O11S
• Molecular Weight: 1517.74 g/mol
• Exact Mass: 1516.63
• IUPAC Name: N-hydroxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-sulfanylidenespiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
• SMILES: COC(=O)c1cccc2c1CC1(CCN(Cc3ccc(C(F)(F)F)cc3)C1)C2.COC(=O)c1cccc2c1CC1(CCNC1)C2.COC(=O)c1cccc2c1CC1(CCNC1=O)C2.COC(=O)c1cccc2c1CC1(CCNC1=S)C2.O=C(NO)c1cccc2c1CC1(CCN(Cc3ccc(C(F)(F)F)cc3)C1)C2
• InChI: InChI=1S/C22H22F3NO2.C21H21F3N2O2.C14H15NO3.C14H15NO2S.C14H17NO2/c1-28-20(27)18-4-2-3-16-11-21(12-19(16)18)9-10-26(14-21)13-15-5-7-17(8-6-15)22(23,24)25;22-21(23,24)16-6-4-14(5-7-16)12-26-9-8-20(13-26)10-15-2-1-3-17(18(15)11-20)19(27)25-28;1-18-12(16)10-4-2-3-9-7-14(8-11(9)10)5-6-15-13(14)17;1-17-12(16)10-4-2-3-9-7-14(8-11(9)10)5-6-15-13(14)18;1-17-13(16)11-4-2-3-10-7-14(8-12(10)11)5-6-15-9-14/h2-8H,9-14H2,1H3;1-7,28H,8-13H2,(H,25,27);2-4H,5-8H2,1H3,(H,15,17);2-4H,5-8H2,1H3,(H,15,18);2-4,15H,5-9H2,1H3
• InChIKey: NNTCVHJGDSFRLL-UHFFFAOYSA-N
• XLogP: 12.81
• TPSA: 214.17 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 15
• Rotatable Bonds: 9
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1517.74
LogP ≤ 5	12.81
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-sulfanylidenespiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?

The IUPAC name of N-hydroxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-sulfanylidenespiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate (CID 167629186) is N-hydroxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-sulfanylidenespiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate.

What is the SMILES notation for N-hydroxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-sulfanylidenespiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?

The canonical SMILES for N-hydroxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-sulfanylidenespiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate is COC(=O)c1cccc2c1CC1(CCN(Cc3ccc(C(F)(F)F)cc3)C1)C2.COC(=O)c1cccc2c1CC1(CCNC1)C2.COC(=O)c1cccc2c1CC1(CCNC1=O)C2.COC(=O)c1cccc2c1CC1(CCNC1=S)C2.O=C(NO)c1cccc2c1CC1(CCN(Cc3ccc(C(F)(F)F)cc3)C1)C2.

What is the InChIKey of N-hydroxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-sulfanylidenespiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?

The InChIKey is NNTCVHJGDSFRLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F3NO2.C21H21F3N2O2.C14H15NO3.C14H15NO2S.C14H17NO2/c1-28-20(27)18-4-2-3-16-11-21(12-19(16)18)9-10-26(14-21)13-15-5-7-17(8-6-15)22(23,24)25;22-21(23,24)16-6-4-14(5-7-16)12-26-9-8-20(13-26)10-15-2-1-3-17(18(15)11-20)19(27)25-28;1-18-12(16)10-4-2-3-9-7-14(8-11(9)10)5-6-15-13(14)17;1-17-12(16)10-4-2-3-9-7-14(8-11(9)10)5-6-15-13(14)18;1-17-13(16)11-4-2-3-10-7-14(8-12(10)11)5-6-15-9-14/h2-8H,9-14H2,1H3;1-7,28H,8-13H2,(H,25,27);2-4H,5-8H2,1H3,(H,15,17);2-4H,5-8H2,1H3,(H,15,18);2-4,15H,5-9H2,1H3.

What are the key properties of N-hydroxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-sulfanylidenespiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?

N-hydroxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-sulfanylidenespiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate has a molecular weight of 1517.74 g/mol, XLogP of 12.81, 9 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxamide;methyl 2'-oxospiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 2'-sulfanylidenespiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate;methyl 1'-[[4-(trifluoromethyl)phenyl]methyl]spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate is sourced from PubChem (CID 167629186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).