N-hydroxy-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide;methyl 2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate

C56H58N4O9 — CID 157485728

About N-hydroxy-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide;methyl 2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate

N-hydroxy-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide;methyl 2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate (PubChem CID 157485728) has the molecular formula C56H58N4O9 and a molecular weight of 931.10 g/mol. Its IUPAC name is N-hydroxy-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide;methyl 2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate.

Molecular Properties

• Compound Name: N-hydroxy-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide;methyl 2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate
• PubChem CID: 157485728
• Molecular Formula: C56H58N4O9
• Molecular Weight: 931.10 g/mol
• Exact Mass: 930.42
• IUPAC Name: N-hydroxy-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide;methyl 2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate
• SMILES: COC(=O)c1ccc2c(c1)CCC1(CC(=O)N(c3ccccc3)C1)C2.COC(=O)c1ccc2c(c1)CCC1(CNC(=O)C1)C2.O=C(NO)c1ccc2c(c1)CCC1(CC(=O)N(c3ccccc3)C1)C2
• InChI: InChI=1S/C21H21NO3.C20H20N2O3.C15H17NO3/c1-25-20(24)16-7-8-17-12-21(10-9-15(17)11-16)13-19(23)22(14-21)18-5-3-2-4-6-18;23-18-12-20(13-22(18)17-4-2-1-3-5-17)9-8-14-10-15(19(24)21-25)6-7-16(14)11-20;1-19-14(18)11-2-3-12-7-15(5-4-10(12)6-11)8-13(17)16-9-15/h2-8,11H,9-10,12-14H2,1H3;1-7,10,25H,8-9,11-13H2,(H,21,24);2-3,6H,4-5,7-9H2,1H3,(H,16,17)
• InChIKey: BWRQPDVHEHVYMX-UHFFFAOYSA-N
• XLogP: 7.57
• TPSA: 171.65 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	931.10
LogP ≤ 5	7.57
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'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide;methyl 2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate?

The IUPAC name of N-hydroxy-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide;methyl 2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate (CID 157485728) is N-hydroxy-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide;methyl 2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate.

What is the SMILES notation for N-hydroxy-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide;methyl 2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate?

The canonical SMILES for N-hydroxy-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide;methyl 2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate is COC(=O)c1ccc2c(c1)CCC1(CC(=O)N(c3ccccc3)C1)C2.COC(=O)c1ccc2c(c1)CCC1(CNC(=O)C1)C2.O=C(NO)c1ccc2c(c1)CCC1(CC(=O)N(c3ccccc3)C1)C2.

What is the InChIKey of N-hydroxy-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide;methyl 2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate?

The InChIKey is BWRQPDVHEHVYMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21NO3.C20H20N2O3.C15H17NO3/c1-25-20(24)16-7-8-17-12-21(10-9-15(17)11-16)13-19(23)22(14-21)18-5-3-2-4-6-18;23-18-12-20(13-22(18)17-4-2-1-3-5-17)9-8-14-10-15(19(24)21-25)6-7-16(14)11-20;1-19-14(18)11-2-3-12-7-15(5-4-10(12)6-11)8-13(17)16-9-15/h2-8,11H,9-10,12-14H2,1H3;1-7,10,25H,8-9,11-13H2,(H,21,24);2-3,6H,4-5,7-9H2,1H3,(H,16,17).

What are the key properties of N-hydroxy-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide;methyl 2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate?

N-hydroxy-2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide;methyl 2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate has a molecular weight of 931.10 g/mol, XLogP of 7.57, 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'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxamide;methyl 2'-oxo-1'-phenylspiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate;methyl 2'-oxospiro[7,8-dihydro-5H-naphthalene-6,4'-pyrrolidine]-2-carboxylate is sourced from PubChem (CID 157485728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).