methyl (1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate

C15H16FNO2 — CID 11959235

IUPACmethyl (1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
SMILESCOC(=O)C1=C(c2ccc(F)cc2)CC2CC[C@H]1N2
InChIInChI=1S/C15H16FNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11,13,17H,6-8H2,1H3/t11?,13-/m1/s1
InChIKeyUFUYAXTWGDCOPU-GLGOKHISSA-N
MW261.30 g/mol
LogP2.28
Rot. Bonds2

About methyl (1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate

methyl (1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate (PubChem CID 11959235) has the molecular formula C15H16FNO2 and a molecular weight of 261.30 g/mol. Its IUPAC name is methyl (1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate.

Molecular Properties

Compound Namemethyl (1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
PubChem CID11959235
Molecular FormulaC15H16FNO2
Molecular Weight261.30 g/mol
Exact Mass261.12
IUPAC Namemethyl (1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate
SMILESCOC(=O)C1=C(c2ccc(F)cc2)CC2CC[C@H]1N2
InChIInChI=1S/C15H16FNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11,13,17H,6-8H2,1H3/t11?,13-/m1/s1
InChIKeyUFUYAXTWGDCOPU-GLGOKHISSA-N
XLogP2.28
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl (1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate?
The IUPAC name of methyl (1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate (CID 11959235) is methyl (1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate.
What is the SMILES notation for methyl (1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate?
The canonical SMILES for methyl (1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate is COC(=O)C1=C(c2ccc(F)cc2)CC2CC[C@H]1N2.
What is the InChIKey of methyl (1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate?
The InChIKey is UFUYAXTWGDCOPU-GLGOKHISSA-N. The full InChI is InChI=1S/C15H16FNO2/c1-19-15(18)14-12(8-11-6-7-13(14)17-11)9-2-4-10(16)5-3-9/h2-5,11,13,17H,6-8H2,1H3/t11?,13-/m1/s1.
What are the key properties of methyl (1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate?
methyl (1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate has a molecular weight of 261.30 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (1R)-3-(4-fluorophenyl)-8-azabicyclo[3.2.1]oct-2-ene-2-carboxylate is sourced from PubChem (CID 11959235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).