3-(aminomethyl)-5-fluoroindol-2-one

C9H7FN2O — CID 71463741

IUPAC3-(aminomethyl)-5-fluoroindol-2-one
SMILESNCC1=c2cc(F)ccc2=NC1=O
InChIInChI=1S/C9H7FN2O/c10-5-1-2-8-6(3-5)7(4-11)9(13)12-8/h1-3H,4,11H2
InChIKeyYVDQLJZZPBWACC-UHFFFAOYSA-N
MW178.17 g/mol
LogP-0.91
Rot. Bonds1

About 3-(aminomethyl)-5-fluoroindol-2-one

3-(aminomethyl)-5-fluoroindol-2-one (PubChem CID 71463741) has the molecular formula C9H7FN2O and a molecular weight of 178.17 g/mol. Its IUPAC name is 3-(aminomethyl)-5-fluoroindol-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-5-fluoroindol-2-one
PubChem CID71463741
Molecular FormulaC9H7FN2O
Molecular Weight178.17 g/mol
Exact Mass178.05
IUPAC Name3-(aminomethyl)-5-fluoroindol-2-one
SMILESNCC1=c2cc(F)ccc2=NC1=O
InChIInChI=1S/C9H7FN2O/c10-5-1-2-8-6(3-5)7(4-11)9(13)12-8/h1-3H,4,11H2
InChIKeyYVDQLJZZPBWACC-UHFFFAOYSA-N
XLogP-0.91
TPSA55.45 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.17
LogP ≤ 5-0.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-5-fluoroindol-2-one?
The IUPAC name of 3-(aminomethyl)-5-fluoroindol-2-one (CID 71463741) is 3-(aminomethyl)-5-fluoroindol-2-one.
What is the SMILES notation for 3-(aminomethyl)-5-fluoroindol-2-one?
The canonical SMILES for 3-(aminomethyl)-5-fluoroindol-2-one is NCC1=c2cc(F)ccc2=NC1=O.
What is the InChIKey of 3-(aminomethyl)-5-fluoroindol-2-one?
The InChIKey is YVDQLJZZPBWACC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7FN2O/c10-5-1-2-8-6(3-5)7(4-11)9(13)12-8/h1-3H,4,11H2.
What are the key properties of 3-(aminomethyl)-5-fluoroindol-2-one?
3-(aminomethyl)-5-fluoroindol-2-one has a molecular weight of 178.17 g/mol, XLogP of -0.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-5-fluoroindol-2-one is sourced from PubChem (CID 71463741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).