5-amino-6-nitrospiro[1H-indole-3,1'-cyclohexane]-2-one;5-amino-6-nitrospiro[1H-indole-3,1'-cyclopentane]-2-one

C25H28N6O6 — CID 88708920

About 5-amino-6-nitrospiro[1H-indole-3,1'-cyclohexane]-2-one;5-amino-6-nitrospiro[1H-indole-3,1'-cyclopentane]-2-one

5-amino-6-nitrospiro[1H-indole-3,1'-cyclohexane]-2-one;5-amino-6-nitrospiro[1H-indole-3,1'-cyclopentane]-2-one (PubChem CID 88708920) has the molecular formula C25H28N6O6 and a molecular weight of 508.54 g/mol. Its IUPAC name is 5-amino-6-nitrospiro[1H-indole-3,1'-cyclohexane]-2-one;5-amino-6-nitrospiro[1H-indole-3,1'-cyclopentane]-2-one.

Molecular Properties

• Compound Name: 5-amino-6-nitrospiro[1H-indole-3,1'-cyclohexane]-2-one;5-amino-6-nitrospiro[1H-indole-3,1'-cyclopentane]-2-one
• PubChem CID: 88708920
• Molecular Formula: C25H28N6O6
• Molecular Weight: 508.54 g/mol
• Exact Mass: 508.21
• IUPAC Name: 5-amino-6-nitrospiro[1H-indole-3,1'-cyclohexane]-2-one;5-amino-6-nitrospiro[1H-indole-3,1'-cyclopentane]-2-one
• SMILES: Nc1cc2c(cc1[N+](=O)[O-])NC(=O)C21CCCC1.Nc1cc2c(cc1[N+](=O)[O-])NC(=O)C21CCCCC1
• InChI: InChI=1S/C13H15N3O3.C12H13N3O3/c14-9-6-8-10(7-11(9)16(18)19)15-12(17)13(8)4-2-1-3-5-13;13-8-5-7-9(6-10(8)15(17)18)14-11(16)12(7)3-1-2-4-12/h6-7H,1-5,14H2,(H,15,17);5-6H,1-4,13H2,(H,14,16)
• InChIKey: GXFOYVOGNIDOSU-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 196.52 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 2
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	508.54
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-nitrospiro[1H-indole-3,1'-cyclohexane]-2-one;5-amino-6-nitrospiro[1H-indole-3,1'-cyclopentane]-2-one?

The IUPAC name of 5-amino-6-nitrospiro[1H-indole-3,1'-cyclohexane]-2-one;5-amino-6-nitrospiro[1H-indole-3,1'-cyclopentane]-2-one (CID 88708920) is 5-amino-6-nitrospiro[1H-indole-3,1'-cyclohexane]-2-one;5-amino-6-nitrospiro[1H-indole-3,1'-cyclopentane]-2-one.

What is the SMILES notation for 5-amino-6-nitrospiro[1H-indole-3,1'-cyclohexane]-2-one;5-amino-6-nitrospiro[1H-indole-3,1'-cyclopentane]-2-one?

The canonical SMILES for 5-amino-6-nitrospiro[1H-indole-3,1'-cyclohexane]-2-one;5-amino-6-nitrospiro[1H-indole-3,1'-cyclopentane]-2-one is Nc1cc2c(cc1[N+](=O)[O-])NC(=O)C21CCCC1.Nc1cc2c(cc1[N+](=O)[O-])NC(=O)C21CCCCC1.

What is the InChIKey of 5-amino-6-nitrospiro[1H-indole-3,1'-cyclohexane]-2-one;5-amino-6-nitrospiro[1H-indole-3,1'-cyclopentane]-2-one?

The InChIKey is GXFOYVOGNIDOSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3.C12H13N3O3/c14-9-6-8-10(7-11(9)16(18)19)15-12(17)13(8)4-2-1-3-5-13;13-8-5-7-9(6-10(8)15(17)18)14-11(16)12(7)3-1-2-4-12/h6-7H,1-5,14H2,(H,15,17);5-6H,1-4,13H2,(H,14,16).

What are the key properties of 5-amino-6-nitrospiro[1H-indole-3,1'-cyclohexane]-2-one;5-amino-6-nitrospiro[1H-indole-3,1'-cyclopentane]-2-one?

5-amino-6-nitrospiro[1H-indole-3,1'-cyclohexane]-2-one;5-amino-6-nitrospiro[1H-indole-3,1'-cyclopentane]-2-one has a molecular weight of 508.54 g/mol, XLogP of 4.27, 2 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-amino-6-nitrospiro[1H-indole-3,1'-cyclohexane]-2-one;5-amino-6-nitrospiro[1H-indole-3,1'-cyclopentane]-2-one is sourced from PubChem (CID 88708920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).