1'-[[(2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluoro-1-propylspiro[2H-indole-3,4'-piperidine];molecular hydrogen

C23H35FN2 — CID 158741747

About 1'-[[(2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluoro-1-propylspiro[2H-indole-3,4'-piperidine];molecular hydrogen

1'-[[(2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluoro-1-propylspiro[2H-indole-3,4'-piperidine];molecular hydrogen (PubChem CID 158741747) has the molecular formula C23H35FN2 and a molecular weight of 358.55 g/mol. Its IUPAC name is 1'-[[(2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluoro-1-propylspiro[2H-indole-3,4'-piperidine];molecular hydrogen.

Molecular Properties

• Compound Name: 1'-[[(2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluoro-1-propylspiro[2H-indole-3,4'-piperidine];molecular hydrogen
• PubChem CID: 158741747
• Molecular Formula: C23H35FN2
• Molecular Weight: 358.55 g/mol
• Exact Mass: 358.28
• IUPAC Name: 1'-[[(2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluoro-1-propylspiro[2H-indole-3,4'-piperidine];molecular hydrogen
• SMILES: CCCN1CC2(CCN(C[C@H]3C[C@H]4C=CC3C4)CC2)c2cc(F)ccc21.[H][H].[H][H]
• InChI: InChI=1S/C23H31FN2.2H2/c1-2-9-26-16-23(21-14-20(24)5-6-22(21)26)7-10-25(11-8-23)15-19-13-17-3-4-18(19)12-17;;/h3-6,14,17-19H,2,7-13,15-16H2,1H3;2*1H/t17-,18?,19+;;/m0../s1
• InChIKey: IMJNQPRLUGHLFQ-VAZZKRJKSA-N
• XLogP: 5.09
• TPSA: 6.48 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	358.55
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1'-[[(2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluoro-1-propylspiro[2H-indole-3,4'-piperidine];molecular hydrogen?

The IUPAC name of 1'-[[(2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluoro-1-propylspiro[2H-indole-3,4'-piperidine];molecular hydrogen (CID 158741747) is 1'-[[(2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluoro-1-propylspiro[2H-indole-3,4'-piperidine];molecular hydrogen.

What is the SMILES notation for 1'-[[(2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluoro-1-propylspiro[2H-indole-3,4'-piperidine];molecular hydrogen?

The canonical SMILES for 1'-[[(2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluoro-1-propylspiro[2H-indole-3,4'-piperidine];molecular hydrogen is CCCN1CC2(CCN(C[C@H]3C[C@H]4C=CC3C4)CC2)c2cc(F)ccc21.[H][H].[H][H].

What is the InChIKey of 1'-[[(2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluoro-1-propylspiro[2H-indole-3,4'-piperidine];molecular hydrogen?

The InChIKey is IMJNQPRLUGHLFQ-VAZZKRJKSA-N. The full InChI is InChI=1S/C23H31FN2.2H2/c1-2-9-26-16-23(21-14-20(24)5-6-22(21)26)7-10-25(11-8-23)15-19-13-17-3-4-18(19)12-17;;/h3-6,14,17-19H,2,7-13,15-16H2,1H3;2*1H/t17-,18?,19+;;/m0../s1.

What are the key properties of 1'-[[(2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluoro-1-propylspiro[2H-indole-3,4'-piperidine];molecular hydrogen?

1'-[[(2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluoro-1-propylspiro[2H-indole-3,4'-piperidine];molecular hydrogen has a molecular weight of 358.55 g/mol, XLogP of 5.09, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1'-[[(2S,4S)-2-bicyclo[2.2.1]hept-5-enyl]methyl]-5-fluoro-1-propylspiro[2H-indole-3,4'-piperidine];molecular hydrogen is sourced from PubChem (CID 158741747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).