9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-1-carboxylic acid

C13H14FNO2 — CID 105495987

IUPAC9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-1-carboxylic acid
SMILESO=C(O)C1CCC2CCc3cccc(F)c3N21
InChIInChI=1S/C13H14FNO2/c14-10-3-1-2-8-4-5-9-6-7-11(13(16)17)15(9)12(8)10/h1-3,9,11H,4-7H2,(H,16,17)
InChIKeyVSIQWKPPUACVCA-UHFFFAOYSA-N
MW235.26 g/mol
LogP2.19
Rot. Bonds1

About 9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-1-carboxylic acid

9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-1-carboxylic acid (PubChem CID 105495987) has the molecular formula C13H14FNO2 and a molecular weight of 235.26 g/mol. Its IUPAC name is 9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-1-carboxylic acid.

Molecular Properties

Compound Name9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-1-carboxylic acid
PubChem CID105495987
Molecular FormulaC13H14FNO2
Molecular Weight235.26 g/mol
Exact Mass235.10
IUPAC Name9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-1-carboxylic acid
SMILESO=C(O)C1CCC2CCc3cccc(F)c3N21
InChIInChI=1S/C13H14FNO2/c14-10-3-1-2-8-4-5-9-6-7-11(13(16)17)15(9)12(8)10/h1-3,9,11H,4-7H2,(H,16,17)
InChIKeyVSIQWKPPUACVCA-UHFFFAOYSA-N
XLogP2.19
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-1-carboxylic acid?
The IUPAC name of 9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-1-carboxylic acid (CID 105495987) is 9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-1-carboxylic acid.
What is the SMILES notation for 9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-1-carboxylic acid?
The canonical SMILES for 9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-1-carboxylic acid is O=C(O)C1CCC2CCc3cccc(F)c3N21.
What is the InChIKey of 9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-1-carboxylic acid?
The InChIKey is VSIQWKPPUACVCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO2/c14-10-3-1-2-8-4-5-9-6-7-11(13(16)17)15(9)12(8)10/h1-3,9,11H,4-7H2,(H,16,17).
What are the key properties of 9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-1-carboxylic acid?
9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-1-carboxylic acid has a molecular weight of 235.26 g/mol, XLogP of 2.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-fluoro-1,2,3,3a,4,5-hexahydropyrrolo[1,2-a]quinoline-1-carboxylic acid is sourced from PubChem (CID 105495987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).