3'-cyclopropyl-N-hydroxyspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxamide;methyl 3'-cyclopropylspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate

C49H60N2O6 — CID 167558157

About 3'-cyclopropyl-N-hydroxyspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxamide;methyl 3'-cyclopropylspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate

3'-cyclopropyl-N-hydroxyspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxamide;methyl 3'-cyclopropylspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate (PubChem CID 167558157) has the molecular formula C49H60N2O6 and a molecular weight of 773.03 g/mol. Its IUPAC name is 3'-cyclopropyl-N-hydroxyspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxamide;methyl 3'-cyclopropylspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate.

Molecular Properties

• Compound Name: 3'-cyclopropyl-N-hydroxyspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxamide;methyl 3'-cyclopropylspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
• PubChem CID: 167558157
• Molecular Formula: C49H60N2O6
• Molecular Weight: 773.03 g/mol
• Exact Mass: 772.45
• IUPAC Name: 3'-cyclopropyl-N-hydroxyspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxamide;methyl 3'-cyclopropylspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate
• SMILES: COC(=O)c1cccc2c1CC1(CCC(C3CC3)C1)C2.COC(=O)c1cccc2c1CC1(CCNC1)C2.O=C(NO)c1cccc2c1CC1(CCC(C3CC3)C1)C2
• InChI: InChI=1S/C18H22O2.C17H21NO2.C14H17NO2/c1-20-17(19)15-4-2-3-14-10-18(11-16(14)15)8-7-13(9-18)12-5-6-12;19-16(18-20)14-3-1-2-13-9-17(10-15(13)14)7-6-12(8-17)11-4-5-11;1-17-13(16)11-4-2-3-10-7-14(8-12(10)11)5-6-15-9-14/h2-4,12-13H,5-11H2,1H3;1-3,11-12,20H,4-10H2,(H,18,19);2-4,15H,5-9H2,1H3
• InChIKey: DHEFHAMCCQFHIN-UHFFFAOYSA-N
• XLogP: 8.42
• TPSA: 113.96 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	773.03
LogP ≤ 5	8.42
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

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 3'-cyclopropyl-N-hydroxyspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxamide;methyl 3'-cyclopropylspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?

The IUPAC name of 3'-cyclopropyl-N-hydroxyspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxamide;methyl 3'-cyclopropylspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate (CID 167558157) is 3'-cyclopropyl-N-hydroxyspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxamide;methyl 3'-cyclopropylspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate.

What is the SMILES notation for 3'-cyclopropyl-N-hydroxyspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxamide;methyl 3'-cyclopropylspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?

The canonical SMILES for 3'-cyclopropyl-N-hydroxyspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxamide;methyl 3'-cyclopropylspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate is COC(=O)c1cccc2c1CC1(CCC(C3CC3)C1)C2.COC(=O)c1cccc2c1CC1(CCNC1)C2.O=C(NO)c1cccc2c1CC1(CCC(C3CC3)C1)C2.

What is the InChIKey of 3'-cyclopropyl-N-hydroxyspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxamide;methyl 3'-cyclopropylspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?

The InChIKey is DHEFHAMCCQFHIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22O2.C17H21NO2.C14H17NO2/c1-20-17(19)15-4-2-3-14-10-18(11-16(14)15)8-7-13(9-18)12-5-6-12;19-16(18-20)14-3-1-2-13-9-17(10-15(13)14)7-6-12(8-17)11-4-5-11;1-17-13(16)11-4-2-3-10-7-14(8-12(10)11)5-6-15-9-14/h2-4,12-13H,5-11H2,1H3;1-3,11-12,20H,4-10H2,(H,18,19);2-4,15H,5-9H2,1H3.

What are the key properties of 3'-cyclopropyl-N-hydroxyspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxamide;methyl 3'-cyclopropylspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate?

3'-cyclopropyl-N-hydroxyspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxamide;methyl 3'-cyclopropylspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate has a molecular weight of 773.03 g/mol, XLogP of 8.42, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3'-cyclopropyl-N-hydroxyspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxamide;methyl 3'-cyclopropylspiro[1,3-dihydroindene-2,1'-cyclopentane]-4-carboxylate;methyl spiro[1,3-dihydroindene-2,3'-pyrrolidine]-4-carboxylate is sourced from PubChem (CID 167558157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).