7-(aminomethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one

C11H13FN2O — CID 82190643

IUPAC7-(aminomethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2c(CN)cc(F)cc21
InChIInChI=1S/C11H13FN2O/c1-11(2)8-4-7(12)3-6(5-13)9(8)14-10(11)15/h3-4H,5,13H2,1-2H3,(H,14,15)
InChIKeyLYUAAKSZXBUISY-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.51
Rot. Bonds1

About 7-(aminomethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one

7-(aminomethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one (PubChem CID 82190643) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 7-(aminomethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one.

Molecular Properties

Compound Name7-(aminomethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one
PubChem CID82190643
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name7-(aminomethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one
SMILESCC1(C)C(=O)Nc2c(CN)cc(F)cc21
InChIInChI=1S/C11H13FN2O/c1-11(2)8-4-7(12)3-6(5-13)9(8)14-10(11)15/h3-4H,5,13H2,1-2H3,(H,14,15)
InChIKeyLYUAAKSZXBUISY-UHFFFAOYSA-N
XLogP1.51
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.51
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-3,3-dimethyl-1H-indol-2-one?
The IUPAC name of 7-(aminomethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one (CID 82190643) is 7-(aminomethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one.
What is the SMILES notation for 7-(aminomethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one?
The canonical SMILES for 7-(aminomethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one is CC1(C)C(=O)Nc2c(CN)cc(F)cc21.
What is the InChIKey of 7-(aminomethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one?
The InChIKey is LYUAAKSZXBUISY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-11(2)8-4-7(12)3-6(5-13)9(8)14-10(11)15/h3-4H,5,13H2,1-2H3,(H,14,15).
What are the key properties of 7-(aminomethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one?
7-(aminomethyl)-5-fluoro-3,3-dimethyl-1H-indol-2-one has a molecular weight of 208.24 g/mol, XLogP of 1.51, 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-3,3-dimethyl-1H-indol-2-one is sourced from PubChem (CID 82190643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).