3-cyclopentyl-5-fluoro-3-hydroxy-7-methyl-1H-indol-2-one

C14H16FNO2 — CID 59477466

IUPAC3-cyclopentyl-5-fluoro-3-hydroxy-7-methyl-1H-indol-2-one
SMILESCc1cc(F)cc2c1NC(=O)C2(O)C1CCCC1
InChIInChI=1S/C14H16FNO2/c1-8-6-10(15)7-11-12(8)16-13(17)14(11,18)9-4-2-3-5-9/h6-7,9,18H,2-5H2,1H3,(H,16,17)
InChIKeyUPKMNCSTTGTHCE-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.46
Rot. Bonds1

About 3-cyclopentyl-5-fluoro-3-hydroxy-7-methyl-1H-indol-2-one

3-cyclopentyl-5-fluoro-3-hydroxy-7-methyl-1H-indol-2-one (PubChem CID 59477466) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 3-cyclopentyl-5-fluoro-3-hydroxy-7-methyl-1H-indol-2-one.

Molecular Properties

Compound Name3-cyclopentyl-5-fluoro-3-hydroxy-7-methyl-1H-indol-2-one
PubChem CID59477466
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name3-cyclopentyl-5-fluoro-3-hydroxy-7-methyl-1H-indol-2-one
SMILESCc1cc(F)cc2c1NC(=O)C2(O)C1CCCC1
InChIInChI=1S/C14H16FNO2/c1-8-6-10(15)7-11-12(8)16-13(17)14(11,18)9-4-2-3-5-9/h6-7,9,18H,2-5H2,1H3,(H,16,17)
InChIKeyUPKMNCSTTGTHCE-UHFFFAOYSA-N
XLogP2.46
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-fluoro-3-hydroxy-7-methyl-1H-indol-2-one?
The IUPAC name of 3-cyclopentyl-5-fluoro-3-hydroxy-7-methyl-1H-indol-2-one (CID 59477466) is 3-cyclopentyl-5-fluoro-3-hydroxy-7-methyl-1H-indol-2-one.
What is the SMILES notation for 3-cyclopentyl-5-fluoro-3-hydroxy-7-methyl-1H-indol-2-one?
The canonical SMILES for 3-cyclopentyl-5-fluoro-3-hydroxy-7-methyl-1H-indol-2-one is Cc1cc(F)cc2c1NC(=O)C2(O)C1CCCC1.
What is the InChIKey of 3-cyclopentyl-5-fluoro-3-hydroxy-7-methyl-1H-indol-2-one?
The InChIKey is UPKMNCSTTGTHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-8-6-10(15)7-11-12(8)16-13(17)14(11,18)9-4-2-3-5-9/h6-7,9,18H,2-5H2,1H3,(H,16,17).
What are the key properties of 3-cyclopentyl-5-fluoro-3-hydroxy-7-methyl-1H-indol-2-one?
3-cyclopentyl-5-fluoro-3-hydroxy-7-methyl-1H-indol-2-one has a molecular weight of 249.28 g/mol, XLogP of 2.46, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-fluoro-3-hydroxy-7-methyl-1H-indol-2-one is sourced from PubChem (CID 59477466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).