5-fluoro-3-methylindol-2-one

C9H6FNO — CID 151271798

IUPAC5-fluoro-3-methylindol-2-one
SMILESCC1=c2cc(F)ccc2=NC1=O
InChIInChI=1S/C9H6FNO/c1-5-7-4-6(10)2-3-8(7)11-9(5)12/h2-4H,1H3
InChIKeyNWNJIQGYGASSQI-UHFFFAOYSA-N
MW163.15 g/mol
LogP0.16
Rot. Bonds

About 5-fluoro-3-methylindol-2-one

5-fluoro-3-methylindol-2-one (PubChem CID 151271798) has the molecular formula C9H6FNO and a molecular weight of 163.15 g/mol. Its IUPAC name is 5-fluoro-3-methylindol-2-one.

Molecular Properties

Compound Name5-fluoro-3-methylindol-2-one
PubChem CID151271798
Molecular FormulaC9H6FNO
Molecular Weight163.15 g/mol
Exact Mass163.04
IUPAC Name5-fluoro-3-methylindol-2-one
SMILESCC1=c2cc(F)ccc2=NC1=O
InChIInChI=1S/C9H6FNO/c1-5-7-4-6(10)2-3-8(7)11-9(5)12/h2-4H,1H3
InChIKeyNWNJIQGYGASSQI-UHFFFAOYSA-N
XLogP0.16
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.15
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-methylindol-2-one?
The IUPAC name of 5-fluoro-3-methylindol-2-one (CID 151271798) is 5-fluoro-3-methylindol-2-one.
What is the SMILES notation for 5-fluoro-3-methylindol-2-one?
The canonical SMILES for 5-fluoro-3-methylindol-2-one is CC1=c2cc(F)ccc2=NC1=O.
What is the InChIKey of 5-fluoro-3-methylindol-2-one?
The InChIKey is NWNJIQGYGASSQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FNO/c1-5-7-4-6(10)2-3-8(7)11-9(5)12/h2-4H,1H3.
What are the key properties of 5-fluoro-3-methylindol-2-one?
5-fluoro-3-methylindol-2-one has a molecular weight of 163.15 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-methylindol-2-one is sourced from PubChem (CID 151271798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).