7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one

C9H9FN2O — CID 82190628

IUPAC7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one
SMILESNCc1cc(F)cc2c1NC(=O)C2
InChIInChI=1S/C9H9FN2O/c10-7-1-5-3-8(13)12-9(5)6(2-7)4-11/h1-2H,3-4,11H2,(H,12,13)
InChIKeyQOYWFKYWHLLFKH-UHFFFAOYSA-N
MW180.18 g/mol
LogP0.78
Rot. Bonds1

About 7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one

7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one (PubChem CID 82190628) has the molecular formula C9H9FN2O and a molecular weight of 180.18 g/mol. Its IUPAC name is 7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one
PubChem CID82190628
Molecular FormulaC9H9FN2O
Molecular Weight180.18 g/mol
Exact Mass180.07
IUPAC Name7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one
SMILESNCc1cc(F)cc2c1NC(=O)C2
InChIInChI=1S/C9H9FN2O/c10-7-1-5-3-8(13)12-9(5)6(2-7)4-11/h1-2H,3-4,11H2,(H,12,13)
InChIKeyQOYWFKYWHLLFKH-UHFFFAOYSA-N
XLogP0.78
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.18
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one?
The IUPAC name of 7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one (CID 82190628) is 7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one.
What is the SMILES notation for 7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one?
The canonical SMILES for 7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one is NCc1cc(F)cc2c1NC(=O)C2.
What is the InChIKey of 7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one?
The InChIKey is QOYWFKYWHLLFKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN2O/c10-7-1-5-3-8(13)12-9(5)6(2-7)4-11/h1-2H,3-4,11H2,(H,12,13).
What are the key properties of 7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one?
7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one has a molecular weight of 180.18 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(aminomethyl)-5-fluoro-1,3-dihydroindol-2-one is sourced from PubChem (CID 82190628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).