(1R,9R)-11-[(4-fluorophenyl)methyl]-3-phenyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

C24H24FN2O+ — CID 7155451

About (1R,9R)-11-[(4-fluorophenyl)methyl]-3-phenyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one

(1R,9R)-11-[(4-fluorophenyl)methyl]-3-phenyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (PubChem CID 7155451) has the molecular formula C24H24FN2O+ and a molecular weight of 375.47 g/mol. Its IUPAC name is (1R,9R)-11-[(4-fluorophenyl)methyl]-3-phenyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

Molecular Properties

• Compound Name: (1R,9R)-11-[(4-fluorophenyl)methyl]-3-phenyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• PubChem CID: 7155451
• Molecular Formula: C24H24FN2O+
• Molecular Weight: 375.47 g/mol
• Exact Mass: 375.19
• IUPAC Name: (1R,9R)-11-[(4-fluorophenyl)methyl]-3-phenyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
• SMILES: O=c1ccc(-c2ccccc2)c2n1C[C@H]1C[C@@H]2C[NH+](Cc2ccc(F)cc2)C1
• InChI: InChI=1S/C24H23FN2O/c25-21-8-6-17(7-9-21)13-26-14-18-12-20(16-26)24-22(19-4-2-1-3-5-19)10-11-23(28)27(24)15-18/h1-11,18,20H,12-16H2/p+1/t18-,20+/m0/s1
• InChIKey: YFORTSROAPLIIP-AZUAARDMSA-O
• XLogP: 2.86
• TPSA: 26.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.47
LogP ≤ 5	2.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of (1R,9R)-11-[(4-fluorophenyl)methyl]-3-phenyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The IUPAC name of (1R,9R)-11-[(4-fluorophenyl)methyl]-3-phenyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one (CID 7155451) is (1R,9R)-11-[(4-fluorophenyl)methyl]-3-phenyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one.

What is the SMILES notation for (1R,9R)-11-[(4-fluorophenyl)methyl]-3-phenyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The canonical SMILES for (1R,9R)-11-[(4-fluorophenyl)methyl]-3-phenyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is O=c1ccc(-c2ccccc2)c2n1C[C@H]1C[C@@H]2C[NH+](Cc2ccc(F)cc2)C1.

What is the InChIKey of (1R,9R)-11-[(4-fluorophenyl)methyl]-3-phenyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

The InChIKey is YFORTSROAPLIIP-AZUAARDMSA-O. The full InChI is InChI=1S/C24H23FN2O/c25-21-8-6-17(7-9-21)13-26-14-18-12-20(16-26)24-22(19-4-2-1-3-5-19)10-11-23(28)27(24)15-18/h1-11,18,20H,12-16H2/p+1/t18-,20+/m0/s1.

What are the key properties of (1R,9R)-11-[(4-fluorophenyl)methyl]-3-phenyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one?

(1R,9R)-11-[(4-fluorophenyl)methyl]-3-phenyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one has a molecular weight of 375.47 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for (1R,9R)-11-[(4-fluorophenyl)methyl]-3-phenyl-7-aza-11-azoniatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one is sourced from PubChem (CID 7155451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).