N-[(1S)-6-fluoro-1'-(7-tricyclo[4.2.0.01,3]oct-4-enylmethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide;molecular hydrogen

C23H29FN2O — CID 159014999

About N-[(1S)-6-fluoro-1'-(7-tricyclo[4.2.0.01,3]oct-4-enylmethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide;molecular hydrogen

N-[(1S)-6-fluoro-1'-(7-tricyclo[4.2.0.01,3]oct-4-enylmethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide;molecular hydrogen (PubChem CID 159014999) has the molecular formula C23H29FN2O and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[(1S)-6-fluoro-1'-(7-tricyclo[4.2.0.01,3]oct-4-enylmethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide;molecular hydrogen.

Molecular Properties

• Compound Name: N-[(1S)-6-fluoro-1'-(7-tricyclo[4.2.0.01,3]oct-4-enylmethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide;molecular hydrogen
• PubChem CID: 159014999
• Molecular Formula: C23H29FN2O
• Molecular Weight: 368.50 g/mol
• Exact Mass: 368.23
• IUPAC Name: N-[(1S)-6-fluoro-1'-(7-tricyclo[4.2.0.01,3]oct-4-enylmethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide;molecular hydrogen
• SMILES: CC(=O)N[C@H]1CC2(CCN(CC3CC45CC4C=CC35)C2)c2ccc(F)cc21.[H][H]
• InChI: InChI=1S/C23H27FN2O.H2/c1-14(27)25-21-11-22(20-5-3-17(24)8-18(20)21)6-7-26(13-22)12-15-9-23-10-16(23)2-4-19(15)23;/h2-5,8,15-16,19,21H,6-7,9-13H2,1H3,(H,25,27);1H/t15?,16?,19?,21-,22?,23?;/m0./s1
• InChIKey: JSZAGQQHTOSTOZ-OVDKYCRRSA-N
• XLogP: 3.81
• TPSA: 32.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.50
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	1
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 N-[(1S)-6-fluoro-1'-(7-tricyclo[4.2.0.01,3]oct-4-enylmethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide;molecular hydrogen?

The IUPAC name of N-[(1S)-6-fluoro-1'-(7-tricyclo[4.2.0.01,3]oct-4-enylmethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide;molecular hydrogen (CID 159014999) is N-[(1S)-6-fluoro-1'-(7-tricyclo[4.2.0.01,3]oct-4-enylmethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide;molecular hydrogen.

What is the SMILES notation for N-[(1S)-6-fluoro-1'-(7-tricyclo[4.2.0.01,3]oct-4-enylmethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide;molecular hydrogen?

The canonical SMILES for N-[(1S)-6-fluoro-1'-(7-tricyclo[4.2.0.01,3]oct-4-enylmethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide;molecular hydrogen is CC(=O)N[C@H]1CC2(CCN(CC3CC45CC4C=CC35)C2)c2ccc(F)cc21.[H][H].

What is the InChIKey of N-[(1S)-6-fluoro-1'-(7-tricyclo[4.2.0.01,3]oct-4-enylmethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide;molecular hydrogen?

The InChIKey is JSZAGQQHTOSTOZ-OVDKYCRRSA-N. The full InChI is InChI=1S/C23H27FN2O.H2/c1-14(27)25-21-11-22(20-5-3-17(24)8-18(20)21)6-7-26(13-22)12-15-9-23-10-16(23)2-4-19(15)23;/h2-5,8,15-16,19,21H,6-7,9-13H2,1H3,(H,25,27);1H/t15?,16?,19?,21-,22?,23?;/m0./s1.

What are the key properties of N-[(1S)-6-fluoro-1'-(7-tricyclo[4.2.0.01,3]oct-4-enylmethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide;molecular hydrogen?

N-[(1S)-6-fluoro-1'-(7-tricyclo[4.2.0.01,3]oct-4-enylmethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide;molecular hydrogen has a molecular weight of 368.50 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(1S)-6-fluoro-1'-(7-tricyclo[4.2.0.01,3]oct-4-enylmethyl)spiro[1,2-dihydroindene-3,3'-pyrrolidine]-1-yl]acetamide;molecular hydrogen is sourced from PubChem (CID 159014999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).