8-ethenyl-7-fluoro-2H-isoquinolin-3-one

C11H8FNO — CID 178101719

IUPAC8-ethenyl-7-fluoro-2H-isoquinolin-3-one
SMILESC=Cc1c(F)ccc2cc(=O)[nH]cc12
InChIInChI=1S/C11H8FNO/c1-2-8-9-6-13-11(14)5-7(9)3-4-10(8)12/h2-6H,1H2,(H,13,14)
InChIKeyVWFVPGYILHVQLZ-UHFFFAOYSA-N
MW189.19 g/mol
LogP2.31
Rot. Bonds1

About 8-ethenyl-7-fluoro-2H-isoquinolin-3-one

8-ethenyl-7-fluoro-2H-isoquinolin-3-one (PubChem CID 178101719) has the molecular formula C11H8FNO and a molecular weight of 189.19 g/mol. Its IUPAC name is 8-ethenyl-7-fluoro-2H-isoquinolin-3-one.

Molecular Properties

Compound Name8-ethenyl-7-fluoro-2H-isoquinolin-3-one
PubChem CID178101719
Molecular FormulaC11H8FNO
Molecular Weight189.19 g/mol
Exact Mass189.06
IUPAC Name8-ethenyl-7-fluoro-2H-isoquinolin-3-one
SMILESC=Cc1c(F)ccc2cc(=O)[nH]cc12
InChIInChI=1S/C11H8FNO/c1-2-8-9-6-13-11(14)5-7(9)3-4-10(8)12/h2-6H,1H2,(H,13,14)
InChIKeyVWFVPGYILHVQLZ-UHFFFAOYSA-N
XLogP2.31
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.19
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 8-ethenyl-7-fluoro-2H-isoquinolin-3-one?
The IUPAC name of 8-ethenyl-7-fluoro-2H-isoquinolin-3-one (CID 178101719) is 8-ethenyl-7-fluoro-2H-isoquinolin-3-one.
What is the SMILES notation for 8-ethenyl-7-fluoro-2H-isoquinolin-3-one?
The canonical SMILES for 8-ethenyl-7-fluoro-2H-isoquinolin-3-one is C=Cc1c(F)ccc2cc(=O)[nH]cc12.
What is the InChIKey of 8-ethenyl-7-fluoro-2H-isoquinolin-3-one?
The InChIKey is VWFVPGYILHVQLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO/c1-2-8-9-6-13-11(14)5-7(9)3-4-10(8)12/h2-6H,1H2,(H,13,14).
What are the key properties of 8-ethenyl-7-fluoro-2H-isoquinolin-3-one?
8-ethenyl-7-fluoro-2H-isoquinolin-3-one has a molecular weight of 189.19 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenyl-7-fluoro-2H-isoquinolin-3-one is sourced from PubChem (CID 178101719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).